Hydrochloric Acid

Hydrochloric Acid

SCHEMBL160886

COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1.Cl

nearest known ligand 0.71

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 4)

geneUniProtsupporting neighboursconfidence
KCNH2 known ✓ Q12809 6/20 0.71
KLKB1 known ✓ P03952 2/20 0.55
F10 P00742 18/20 0.71
F2 P00734 1/20 0.71

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
SCHEMBL254113 0.99 F10 (0.72) F10KCNH2F2KLKB1
SCHEMBL6694260 0.89 KCNH2 (0.64) F10KCNH2F2KLKB1
SCHEMBL805112 0.89 RAB9A (0.58) F10KCNH2F2
SCHEMBL890632 0.88 F10 (0.71) F10KCNH2KLKB1
SCHEMBL890676 0.88 F10 (0.74) F10KCNH2KLKB1
SCHEMBL14366426 0.88 F10 (0.58) F10KCNH2F2
SCHEMBL890791 0.88 F10 (0.57) F10KCNH2F2
SCHEMBL10177863 0.88 F10 (0.57) F10KCNH2F2
SCHEMBL6694262 0.87 F10 (0.63) F10KCNH2F2KLKB1
SCHEMBL28126263 0.87 F10 (0.57) F10KCNH2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190046510-A1 NOVEL PHARMACEUTICAL SALTS AND POLYMORPHS OF A FACTOR XA INHIBITOR MILLENNIUM PHARMACEUTICALS, INC. 2019-02-14 US disclosed
US-20170326119-A1 NOVEL PHARMACEUTICAL SALTS AND POLYMORPHS OF A FACTOR XA INHIBITOR MILLENNIUM PHARMACEUTICALS, INC. 2017-11-16 US disclosed
US-9555023-B2 Pharmaceutical salts and polymorphs of a factor Xa inhibitor MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-01-31 US disclosed
EP-2611779-B1 CRYSTALLINE FORMS OF A FACTOR Xa INHIBITOR PORTOLA PHARM INC (US) 2016-08-10 EP disclosed
CN-105732490-A Preparation method of betrixaban 重庆医科大学 2016-07-06 CN disclosed
US-20160101089-A1 NOVEL PHARMACEUTICAL SALTS AND POLYMORPHS OF A FACTOR XA INHIBITOR MILLENNIUM PHARMACEUTICALS, INC. 2016-04-14 US disclosed
US-9221758-B2 Methods of synthesizing pharmaceutical salts of a factor Xa inhibitor MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-12-29 US disclosed
EP-2404906-B1 Methods of synthesizing pharmaceutical salts of a factor XA inhibitor MILLENNIUM PHARM INC (US) 2015-07-15 EP disclosed
US-9061019-B2 Pharmaceutical salts and polymorphs of a factor Xa inhibitor MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-06-23 US disclosed
CN-102336702-B Pharmaceutical salts and polymorphs of a factor XA inhibitor n-(5-chloro-pyridin-2-yl)-2-(4-cyano-benzoyl-amino)-5-methoxy-benzamide hydrochloride MILLENNIUM PHARM INC 2015-02-11 CN disclosed
US-20100063113-A1 NOVEL PHARMACEUTICAL SALTS AND POLYMORPHS OF A FACTOR XA INHIBITOR MILLENNIUM PHARMACEUTICALS, INC. 2010-03-11 US disclosed
US-7598276-B2 Better thermal and hydrolytic stability than the free-base compounds; N-(5-chloro-pyridin-2-yl)-2-(4-cyano-benzoyl-amino)-5-methoxy-benzamide Hydrochloride MILLENIUM PHARMACEUTICALS, INC. (US) 2009-10-06 US disclosed
EP-2101760-A2 UNIT DOSE FORMULATIONS AND METHODS OF TREATING THROMBOSIS WITH AN ORAL FACTOR XA INHIBITOR Millennium Pharmaceuticals, Inc. (US) 2009-09-23 EP disclosed
EP-2077995-A1 METHODS OF SYNTHESIZING PHARMACEUTICAL SALTS OF A FACTOR XA INHIBITOR Millennium Pharmaceuticals, Inc. (US) 2009-07-15 EP disclosed
EP-1948608-A2 PHARMACEUTICAL SALTS AND POLYMORPHS OF N-(5-CHLORO-2-PYRIDINYL)-2-[[4-[(DIMETHYLAMINO)IMINOMETHYL]BENZOYL]AMINO]-5-METHOXY-BENZAMIDE , A FACTOR XA INHIBITOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-30 EP disclosed
US-20080153876-A1 Unit dose formulations and methods of treating thrombosis with an oral factor Xa inhibitor MILLENNIUM PHARMACEUTICALS, INC. 2008-06-26 US disclosed
WO-2008073670-A2 UNIT DOSE FORMULATIONS AND METHODS OF TREATING THROMBOSIS WITH AN ORAL FACTOR XA INHIBITOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-06-19 WO disclosed
WO-2008057972-A1 METHODS OF SYNTHESIZING PHARMACEUTICAL SALTS OF A FACTOR XA INHIBITOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-05-15 WO disclosed
WO-2007056517-A2 PHARMACEUTICAL SALTS AND POLYMORPHS OF N- (5-CHL0R0-2-PYRIDINYL) -2- [ [4- [ (DIMETHYLAMINO) IMINOMETHYL] BENZOYL] AMINO] -5-METH OXY-BENZAMIDE, A FACTOR XA INHIBITOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-05-18 WO disclosed
US-20070112039-A1 Better thermal and hydrolytic stability than the free-base compounds; N-(5-chloro-pyridin-2-yl)-2-(4-cyano-benzoyl-amino)-5-methoxy-benzamide Hydrochloride MILLENNIUM PHARMACEUTICALS, INC. 2007-05-17 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 (6 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-20170326119-A1 NOVEL PHARMACEUTICAL SALTS AND POLYMORPHS OF A FACTOR XA INHIBITOR F12, F11, TFPI KCNH2 3549/4885KLKB1 177/4885F10 10/4885
US-20190046510-A1 NOVEL PHARMACEUTICAL SALTS AND POLYMORPHS OF A FACTOR XA INHIBITOR F12, F11, TFPI KCNH2 3549/4885KLKB1 177/4885F10 10/4885
US-20070112039-A1 Better thermal and hydrolytic stability than the free-base compounds; N-(5-chloro-pyridin-2-yl)-2-(4-cyano-benzoyl-amino)-5-methoxy-benzamide Hydrochloride F12, CMA1, F11 KCNH2 741/4885KLKB1 268/4885F10 10/4885
US-20080153876-A1 Unit dose formulations and methods of treating thrombosis with an oral factor Xa inhibitor SERPINC1, TFPI, F11 KCNH2 4230/4885KLKB1 78/4885F10 6/4885
US-20100063113-A1 NOVEL PHARMACEUTICAL SALTS AND POLYMORPHS OF A FACTOR XA INHIBITOR F12, F11, TFPI KCNH2 3549/4885KLKB1 177/4885F10 10/4885
US-20160101089-A1 NOVEL PHARMACEUTICAL SALTS AND POLYMORPHS OF A FACTOR XA INHIBITOR F12, F11, TFPI KCNH2 3549/4885KLKB1 177/4885F10 10/4885

“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.