Hydrochloric Acid

Hydrochloric Acid

SCHEMBL900899

Cl.O=C(O)c1ccc(Cl)s1

nearest known ligand 0.95

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 18)

geneUniProtsupporting neighboursconfidence
GAA known ✓ P10253 2/20 0.47
BCHE known ✓ P06276 1/20 0.46
MAOA known ✓ P21397 1/20 0.46
MAOB known ✓ P27338 1/20 0.46
DAO P14920 7/20 0.95
F2 P00734 1/20 0.64
GSK3B P49841 1/20 0.57
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
LIG1 P18858 1/20 0.47
MEN1 O00255 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL77196 0.98
SCHEMBL7373354 0.87 DAO (0.80) DAOF2GSK3BALDH1A1HPGD
Alcohol SCHEMBL28225514 0.87 DAO (0.80) DAOF2GSK3BALDH1A1HPGD
Acetonitrile SCHEMBL27744525 0.86 DAO (0.77) DAOF2GSK3BALDH1A1HPGD
SCHEMBL3741825 0.85 DAO (0.76) DAOF2GSK3BALDH1A1HPGD
Hydrochloric Acid SCHEMBL3074364 0.82 DAO (0.64) DAOALDH1A1HPGDGAAKDM4E
Hydrochloric Acid SCHEMBL1979156 0.82 DAO (0.64) DAOALDH1A1HPGDGAAKDM4E
SCHEMBL18649308 0.81
SCHEMBL9144815 0.80 F2 (0.70) DAOF2GSK3BALDH1A1HPGD
SCHEMBL7041130 0.79 DAO (0.68) DAOF2GSK3BALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140378682-A1 PROCESSES AND INTERMEDIATES FOR PREPARING RIVAROXABAN CADILA HEALTHCARE LIMITED (IN) 2014-12-25 US claimed
WO-2013098833-A2 PROCESSES AND INTERMEDIATES FOR PREPARING RIVAROXABAN CADILA HEALTHCARE LIMITED (IN) 2013-07-04 WO claimed
WO-2023202583-A1 FXR REGULATOR AND USE THEREOF 北京大学 2023-10-26 WO disclosed
EP-2705028-B1 PROCESS FOR THE PREPARATION OF A RIVAROXABAN AND INTERMEDIATES FORMED IN SAID PROCESS EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2019-08-21 EP disclosed
US-9676781-B2 Substituted glycinamides, process for their manufacture and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-06-13 US disclosed
US-9556163-B2 Process for the preparation of a rivaroxaban and intermediates formed in said process EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2017-01-31 US disclosed
CN-105777734-A Synthetic method of rivaroxaban intermediate 常州方楠医药技术有限公司 2016-07-20 CN disclosed
US-20150252050-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2015-09-10 US disclosed
US-9062034-B2 Substituted glycinamides, process for their manufacture and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-23 US disclosed
US-20140378682-A1 PROCESSES AND INTERMEDIATES FOR PREPARING RIVAROXABAN CADILA HEALTHCARE LIMITED (IN) 2014-12-25 US disclosed
CN-103965184-A Synthesis method for rivaroxaban intermediate SHANGHAI FANGNAN BIOTECHNOLOGY CO LTD 2014-08-06 CN disclosed
US-20100099664-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 US disclosed
WO-2009063029-A2 SUBSTITUTED AMIDES, MANUFACTURING AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed
US-20080051578-A1 SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS DAHMANN GEORG 2008-02-28 US disclosed
EP-0863890-A1 5-AMIDOMETHYL ALPHA, BETHA-SATURATED AND -UNSATURATED 3-ARYL BUTYROLACTONE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 1998-09-16 EP disclosed
US-5708169-A BACTERICIDES FOR TREATMENT OF GRAM POSITIVE INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1998-01-13 US disclosed
WO-1997010235-A1 5-AMIDOMETHYL α, β-SATURATED AND -UNSATURATED 3-ARYL BUTYROLACTONE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 1997-03-20 WO disclosed
US-5455273-A Antiacholesterol agents KARL THOMAE GMBH (DE) 1995-10-03 US disclosed
US-4620022-A REACTING TRIALKYLSILYL CYANIDE WITH ACID HALIDE BAYER AKTIENGESELLSCHAFT (DE) 1986-10-28 US disclosed
US-4590203-A Derivatives of thiophene-2-carboxylic acid and their pharmaceutically acceptable acid or base addition salts and use in treatment of conditions caused by thromboxane A2 LAEVOSAN-GESELLSCHAFT M.B.H. & CO. KG (AT) 1986-05-20 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 (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-20100099664-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS DDC, GLS, UROD GAA 504/4885BCHE 1565/4885MAOA 856/4885
US-20080051578-A1 SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS CYP11B2, CYP3A43, CYP11B1 GAA 672/4885BCHE 491/4885MAOA 65/4885
US-20150252050-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS PGM2, MGAM, GRM1 GAA 230/4885BCHE 992/4885MAOA 796/4885
US-20140378682-A1 PROCESSES AND INTERMEDIATES FOR PREPARING RIVAROXABAN VKORC1, VKORC1L1, F2 GAA 3939/4885BCHE 2441/4885MAOA 877/4885

“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.