Hydrochloric Acid

Hydrochloric Acid

SCHEMBL598635

CCc1cc(CN)c(CC)c(CC)c1CC.Cl

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DHFR P00374 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2E1 P05181 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2A6 P11509 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2B6 P20813 1/20 0.31
CYP2C19 P33261 1/20 0.31
BACE1 P56817 1/20 0.31
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 1/20 0.30
CSNK2A3 Q8NEV1 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10482166 0.98 NOS3 (0.34) NOS3NOS1NOS2SMN1; SMN2DHFR
Bromide SCHEMBL8152930 0.95 NOS3 (0.33) NOS3NOS1NOS2SMN1; SMN2DHFR
SCHEMBL31123394 0.85 NOS3 (0.35) NOS3NOS1NOS2SMN1; SMN2DHFR
SCHEMBL168554 0.84 GRIN2D (0.36) NOS3NOS1NOS2SMN1; SMN2DHFR
Ammonia Solution, Strong SCHEMBL27455415 0.82 GRIN2D (0.35) NOS3NOS1NOS2SMN1; SMN2DHFR
SCHEMBL5178615 0.82 GRIN2D (0.35) NOS3NOS1NOS2SMN1; SMN2DHFR
Ethylene SCHEMBL27743149 0.79 GRIN2D (0.33) NOS3NOS1NOS2SMN1; SMN2DHFR
SCHEMBL11437484 0.79 DHFR (0.39) NOS3NOS1NOS2SMN1; SMN2DHFR
Hydrochloric Acid SCHEMBL1937544 0.78 AOC1 (0.33) NOS3NOS2TAAR1CYP1A2CYP2E1
SCHEMBL12797844 0.76 GRIN2D (0.40) NOS3NOS1NOS2TAAR1CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3551188-B1 SUBSTITUTED QUINAZOLINE SULFONAMIDES AS THIOREDOXIN INTERACTING PROTEIN (TXNIP) INHIBITORS SOUTHERN RES INST (US) 2023-10-18 EP disclosed
US-11752153-B2 Substituted quinazoline sulfonamides as thioredoxin interacting protein (TXNIP) inhibitors SOUTHERN RESEARCH INSTITUTE (US) 2023-09-12 US disclosed
US-20230172932-A1 SUBSTITUTED QUINAZOLINE SULFONAMIDES AS THIOREDOXIN INTERACTING PROTEIN (TXNIP) INHIBITORS SOUTHERN RESEARCH INSTITUTE (US) 2023-06-08 US disclosed
US-11524010-B2 Substituted quinazoline sulfonamides as thioredoxin interacting protein (TXNIP) inhibitors SOUTHERN RESEARCH INSTITUTE (US) 2022-12-13 US disclosed
WO-2022239471-A1 CURABLE COMPOSITION, CURED OBJECT, FIBER-REINFORCED COMPOSITE MATERIAL, AND MOLDED FIBER-REINFORCED RESIN ARTICLE DIC株式会社 2022-11-17 WO disclosed
WO-2022118723-A1 EPOXY RESIN, CURABLE COMPOSITION, CURED PRODUCT, SEMICONDUCTOR SEALING MATERIAL, SEMICONDUCTOR DEVICE, PREPREG, CIRCUIT BOARD AND BUILDUP FILM DIC株式会社 2022-06-09 WO disclosed
US-20210369713-A1 SUBSTITUTED QUINAZOLINE SULFONAMIDES AS THIOREDOXIN INTERACTING PROTEIN (TXNIP) INHIBITORS SOUTHERN RESEARCH INSTITUTE (US) 2021-12-02 US disclosed
US-20200038402-A1 SUBSTITUTED QUINAZOLINE SULFONAMIDES AS THIOREDOXIN INTERACTING PROTEIN (TXNIP) INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-02-06 US disclosed
EP-3551188-A1 SUBSTITUTED QUINAZOLINE SULFONAMIDES AS THIOREDOXIN INTERACTING PROTEIN (TXNIP) INHIBITORS Southern Research Institute (US) 2019-10-16 EP disclosed
US-9580634-B2 Phenolic-hydroxyl-containing resin, epoxy resin, curable resin composition, substance obtained by curing same, and semiconductor sealant DIC CORPORATION (JP) 2017-02-28 US disclosed
EP-1854819-A1 EPOXY RESIN COMPOSITION, CURED OBJECT OBTAINED THEREFROM, SEMICONDUCTOR-ENCAPSULATING MATERIAL, NOVEL PHENOLIC RESIN, AND NOVEL EPOXY RESIN Dainippon Ink and Chemicals, Incorporated (JP) 2007-11-14 EP disclosed
US-6683055-B1 GUANIDINE OR AMIDINE TERMINED PEPTIDES BASF AKTIENGESELLSCHAFT (DE) 2004-01-27 US disclosed
US-6660811-B2 Curing agent and oligomers or polymers derived from the reaction product of an aromatic aldehyde and a phenolic compound, with the phenolic hydroxyl groups converted to glycidyloxy groups; semiconductor, electronic sealants DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-12-09 US disclosed
US-20020156189-A1 Epoxy resin composition and curing product therof DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-10-24 US disclosed
US-6080833-A BIS(HYDROXYALKOXYLATED) 1,1'-SPIROBIINDAN POLYCARBONATES AND POLYESTERS POLYMERS AND CURABLE COMPOUNDS SUCH AS BIS(ACRYLATED ALKOXY)SPIROBIINDANS; ALSO POLYAMIDES AND POLYIMIDES CONTAINING SPIROBIINDAN GROUPS MITSUI CHEMICALS, INC. (JP) 2000-06-27 US disclosed
EP-0822545-A2 Optical component and spirobiindan polymer therefor MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1998-02-04 EP disclosed
EP-0354789-B1 High energy beam-sensitive copolymer SOMAR CORP (JP) 1994-06-01 EP disclosed
US-5015558-A Photoresists sensitive to high energy beams SOMAR CORPORATION (JP) 1991-05-14 US disclosed
EP-0354789-A2 High energy beam-sensitive copolymer SOMAR CORPORATION (JP) 1990-02-14 EP disclosed
US-4874859-A CROSSLINKING AGENT SOCIETE CHIMIQUE DES CHARBONNAGES (FR) 1989-10-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200038402-A1 SUBSTITUTED QUINAZOLINE SULFONAMIDES AS THIOREDOXIN INTERACTING PROTEIN (TXNIP) INHIBITORS TXN, TXN2, TXNRD1 NOS3 1856/4885NOS1 1868/4885NOS2 2266/4885
US-11524010-B2 Substituted quinazoline sulfonamides as thioredoxin interacting protein (TXNIP) inhibitors TXN, TXNL1, TXN2 NOS3 1501/4885NOS1 1666/4885NOS2 1798/4885
US-20210369713-A1 SUBSTITUTED QUINAZOLINE SULFONAMIDES AS THIOREDOXIN INTERACTING PROTEIN (TXNIP) INHIBITORS TXN, TXNL1, TXN2 NOS3 1501/4885NOS1 1666/4885NOS2 1798/4885
US-20230172932-A1 SUBSTITUTED QUINAZOLINE SULFONAMIDES AS THIOREDOXIN INTERACTING PROTEIN (TXNIP) INHIBITORS TXN, TXNL1, TXN2 NOS3 1501/4885NOS1 1666/4885NOS2 1798/4885
US-11752153-B2 Substituted quinazoline sulfonamides as thioredoxin interacting protein (TXNIP) inhibitors TXN, TXNL1, TXN2 NOS3 1501/4885NOS1 1666/4885NOS2 1798/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.