Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6476958

Cl.N#Cc1ncc(CN)cn1

nearest known ligand 0.41

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 17)

geneUniProtsupporting neighboursconfidence
GAA known ✓ P10253 1/20 0.31
GABRA1 known ✓ P14867 1/20 0.30
GABRA3 known ✓ P34903 1/20 0.30
GABRA2 known ✓ P47869 1/20 0.30
GABRB2 known ✓ P47870 1/20 0.30
LOXL2 Q9Y4K0 3/20 0.41
NAAA Q02083 1/20 0.38
MELK Q14680 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NSD2 O96028 1/20 0.31
EGLN2 Q96KS0 1/20 0.31
GRM2 Q14416 1/20 0.31
GABRR1 P24046 1/20 0.30
UCHL1 P09936 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
Hydrochloric Acid SCHEMBL26922254 1.00 LOXL2 (0.41) LOXL2NAAAMELKKDM4EALDH1A1
SCHEMBL6476454 0.98 LOXL2 (0.43) LOXL2NAAAMELKKDM4EALDH1A1
SCHEMBL20143957 0.74 CYP2A6 (0.43) NAAAKDM4EALDH1A1L3MBTL1EGLN2
SCHEMBL9455422 0.74 NAAA (0.39) NAAAEGLN2
SCHEMBL23158011 0.74 LOXL2 (0.33) LOXL2GABRA1GABRR1GABRA3GABRA2
SCHEMBL24149399 0.74 NAAA (0.39) NAAAKDM4EGAAL3MBTL1EGLN2
SCHEMBL19971709 0.74 NAAA (0.39) NAAAEGLN2
SCHEMBL17778285 0.73 NAAA (0.45) NAAAALDH1A1EGLN2GRM2
Hydrochloric Acid SCHEMBL3176304 0.72 LOXL2 (0.47) LOXL2NSD2GRM2
Hydrochloric Acid SCHEMBL164139 0.72 LOXL2 (0.47) LOXL2NSD2GRM2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240158385-A1 NOVEL COMPOUNDS Cerevance, Inc. 2024-05-16 US disclosed
EP-4288433-A1 NOVEL COMPOUNDS Cerevance, Inc. (US) 2023-12-13 EP disclosed
CN-116981665-A Novel compounds 思瑞万斯公司 2023-10-31 CN disclosed
WO-2022167819-A1 NOVEL COMPOUNDS Cerevance, Inc. (US) 2022-08-11 WO disclosed
US-6956037-B2 Benzamide derivatives for the treatment of diseases mediated by cytokines ASTRAZENECA AB (SE) 2005-10-18 US disclosed
US-6900319-B2 Thrombin inhibitors ABBOTT GMBH & CO. KG (DE) 2005-05-31 US disclosed
CN-1198839-C Novel dipeptide amidines as thrombin inhibitors AIBET GMBH & CO KG (DE) 2005-04-27 CN disclosed
US-6774110-B2 ANTITHROMBOTIC ACTIVITY AND HIGH ORAL BIOAVAILABILITY; E.G. N-AMINOSULFONYL-D-DIPHENYLALANYL-L-PROLYL-((4-AMIDINOPHENYL)METHYL)AMIDE LG LIFE SCIENCES LTD. (KR) 2004-08-10 US disclosed
US-20030212068-A1 Benzamide derivatives for the treatment of diseases mediated by cytokines ASTRAZENECA AB 2003-11-13 US disclosed
US-20020169113-A1 Orally available peptidic thrombin inhibitors LG LIFE SCIENCES LTD. (KR) 2002-11-14 US disclosed
US-20020169318-A1 Novel thrombin inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2002-11-14 US disclosed
US-6444817-B1 ANTICOAGULANTS ABBOTT LABORATORIES 2002-09-03 US disclosed
US-6030972-A 2- OR 5-AMINOMETHYL,2- OR 5-CYANOPYRIMIDINES AS INTERMEDIATES OF ANTICOAGULANTS IN EXTRACORPOREAL CIRCULATION (HEART-LUNG MACHINE, HEMODIALYSIS) BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
EP-0873356-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-10-28 EP disclosed
CN-1175953-A Novel dipeptide amidines as thrombin inhibitors BASF AG (DE) 1998-03-11 CN disclosed
WO-1996025426-A9 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS 1997-06-12 WO disclosed
WO-1996025426-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1996-08-22 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-20030212068-A1 Benzamide derivatives for the treatment of diseases mediated by cytokines IL2, IL6, IL6ST GAA 444/4885GABRA1 536/4885GABRA3 842/4885
US-20240158385-A1 NOVEL COMPOUNDS KCNK3, KCNA4, KCNK13 GAA 2073/4885GABRA1 2037/4885GABRA3 1062/4885
US-20020169113-A1 Orally available peptidic thrombin inhibitors F2, SERPINC1, TFPI GAA 3638/4885GABRA1 4003/4885GABRA3 4026/4885
US-20020169318-A1 Novel thrombin inhibitors TFPI, SERPINC1, F11 GAA 3582/4885GABRA1 1074/4885GABRA3 2303/4885

“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.