Hydrochloric Acid

Hydrochloric Acid

SCHEMBL506846

CCOC(=N)Cc1ccccc1.Cl

nearest known ligand 0.47

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
MMP8 known ✓ P22894 1/20 0.39
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
PIN1 Q13526 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
AKR1B1 P15121 1/20 0.40
PAM P19021 1/20 0.40
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
PPID Q08752 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL506200 0.98 KMT2A (0.43) KMT2AMEN1ALDH1A1L3MBTL1MAPK1
Bromide SCHEMBL9729336 0.96 KMT2A (0.42) KMT2AMEN1ALDH1A1L3MBTL1MAPK1
Hydrochloric Acid SCHEMBL6869492 0.94 KMT2A (0.41) KMT2AMEN1ALDH1A1L3MBTL1MAPK1
Hydrochloric Acid SCHEMBL26633567 0.86 ALOX5 (0.57) ALDH1A1L3MBTL1LMNA
Hydrochloric Acid SCHEMBL13836304 0.84 MEN1 (0.46) KMT2AMEN1ALDH1A1L3MBTL1LMNA
Hydrochloric Acid SCHEMBL13835179 0.84 IDO1 (0.44) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL26611399 0.81 KMT2A (0.44) KMT2AMEN1L3MBTL1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL2033675 0.81 L3MBTL1 (0.49) KMT2AALDH1A1L3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL9123984 0.81 TDP1 (0.45) KMT2AMEN1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL16060676 0.80 SOAT1 (0.45) KMT2AMEN1ALDH1A1L3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239784-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION 2024-07-18 US disclosed
EP-4396176-A1 INDOLE COMPOUNDS AND USES THEREOF IN THE TREATEMENT OF CYSTIC FIBROSIS GENZYME CORPORATION (US) 2024-07-10 EP disclosed
CN-115772135-A Triazinone compound and application thereof 中国科学院广州生物医药与健康研究院 2023-03-10 CN disclosed
WO-2023034946-A1 INDOLE COMPOUNDS AND USES THEREOF IN THE TREATEMENT OF CYSTIC FIBROSIS GENZYME CORPORATION (US) 2023-03-09 WO disclosed
US-9193719-B2 1,2,4-triazol-5-ones and analogs exhibiting anti-cancer and anti-proliferative activities DECIPHERA PHARMACEUTICALS, LLC (US) 2015-11-24 US disclosed
US-20140296252-A1 1,2,4-TRIAZOL-5-ONES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES DECIPHERA PHARMACEUTICALS, LLC (US) 2014-10-02 US disclosed
WO-2014145023-A1 1,2,4-TRIAZOL-5-ONES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES DECIPHERA PHARMACEUTICALS, LLC (US) 2014-09-18 WO disclosed
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 EP disclosed
US-6562828-B1 Novel amidine compound having a blood coagulation factor Xa inhibitory activity JAPAN TOBACCO INC. (JP) 2003-05-13 US disclosed
US-20030013727-A1 Pharmaceutically active compounds MAW GRAHAM NIGEL (GB) 2003-01-16 US disclosed
US-20030004173-A1 Pharmaceutically active compounds MAW GRAHAM NIGEL (GB) 2003-01-02 US disclosed
US-6440982-B1 INHIBITORS OF CYCLIC GUANOSINE MONOPHOSPHATE DIESTERASES PFIZER INC. 2002-08-27 US disclosed
EP-1092718-A1 2-(2-Alkoxy-5-heterocyclylsulphonylphenyl)purin-6-ones as phosphodiesterase inhibitors Pfizer Limited (GB) 2001-04-18 EP disclosed
EP-1070714-A1 AMIDINE COMPOUNDS JAPAN TOBACCO INC. (JP) 2001-01-24 EP disclosed
US-5409943-A [(alkoxy)pyridinyl]amine compounds which are useful in the treatment of gastrointestinal disorders SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1995-04-25 US disclosed
WO-1994026715-A1 AMIDINE DERIVATIVES AS GASTRIC ACID SECRETION INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1994-11-24 WO disclosed
EP-0625143-A1 PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1994-11-23 EP disclosed
WO-1993015055-A1 PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1993-08-05 WO 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 (4 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-20030004173-A1 Pharmaceutically active compounds PDE5A, PDE3A, PDE2A MMP8 554/4885KMT2A 4502/4885MEN1 1805/4885
US-20240239784-A1 INDOLE COMPOUNDS AND METHODS OF USE CFTR, INMT, IDO1 MMP8 813/4885KMT2A 3610/4885MEN1 2690/4885
US-20030013727-A1 Pharmaceutically active compounds PDE5A, PDE3A, PDE2A MMP8 554/4885KMT2A 4502/4885MEN1 1805/4885
US-20140296252-A1 1,2,4-TRIAZOL-5-ONES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES KIT, CSF1R, CSF3R MMP8 1880/4885KMT2A 967/4885MEN1 549/4885

“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.