Hydrochloric Acid

Hydrochloric Acid

SCHEMBL329950

Cl.O=C(O)C(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.68

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
GLA known ✓ P06280 1/20 0.51
L3MBTL1 Q9Y468 4/20 0.68
PTK2 Q05397 1/20 0.64
RAB9A P51151 10/20 0.58
NPC1 O15118 6/20 0.58
TDP1 Q9NUW8 2/20 0.57
BRD4 O60885 1/20 0.55
SMN1; SMN2 Q16637 5/20 0.54
TSHR P16473 3/20 0.54
TP53 P04637 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
LMNA P02545 2/20 0.54
HTT P42858 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
STAT1 P42224 1/20 0.54
KMT2A Q03164 2/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.51

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
SCHEMBL614739 0.98 L3MBTL1 (0.70) L3MBTL1PTK2RAB9ANPC1TDP1
Lithium SCHEMBL209869 0.96 L3MBTL1 (0.68) L3MBTL1PTK2RAB9ANPC1TDP1
SCHEMBL209867 0.96 L3MBTL1 (0.68) L3MBTL1PTK2RAB9ANPC1TDP1
Ethyl Chloride SCHEMBL21273828 0.90 PTK2 (0.61) L3MBTL1PTK2RAB9ANPC1TDP1
SCHEMBL24654650 0.89 L3MBTL1 (0.78) L3MBTL1PTK2RAB9ANPC1TDP1
Hydrochloric Acid SCHEMBL4953050 0.84 L3MBTL1 (0.66) L3MBTL1PTK2RAB9ANPC1TDP1
Lithium Ion SCHEMBL209868 0.84 L3MBTL1 (0.66) L3MBTL1PTK2RAB9ANPC1TDP1
SCHEMBL4124368 0.83 L3MBTL1 (0.75) L3MBTL1PTK2RAB9ANPC1TDP1
SCHEMBL10015596 0.82 PTK2 (0.74) L3MBTL1PTK2RAB9ANPC1TDP1
SCHEMBL2632202 0.82 L3MBTL1 (0.68) L3MBTL1PTK2RAB9ANPC1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024197723-A1 PREPARATION METHOD FOR EDOXABAN TOSILATE 浙江九洲药业股份有限公司 2024-10-03 WO disclosed
CN-116332958-A Preparation method of idexaban p-toluenesulfonate 浙江九洲药业股份有限公司 2023-06-27 CN disclosed
EP-2602242-B1 PROCESS FOR PREPARING COMPOUND BY NOVEL SANDMEYER-LIKE REACTION USING NITROXIDE RADICAL COMPOUND AS REACTION CATALYST DAIICHI SANKYO CO LTD (JP) 2017-08-23 EP disclosed
US-9233980-B2 Process for preparing a compound by a novel sandmeyer-like reaction using a nitroxide radical compound as a reaction catalyst DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-01-12 US disclosed
US-9175012-B2 Method for producing optically active diamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-11-03 US disclosed
EP-2407450-B1 Method for producing optically active diamine derivative DAIICHI SANKYO CO LTD (JP) 2015-04-22 EP disclosed
EP-2602242-A1 PROCESS FOR PREPARING COMPOUND BY NOVEL SANDMEYER-LIKE REACTION USING NITROXIDE RADICAL COMPOUND AS REACTION CATALYST DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-12 EP disclosed
US-20130144061-A1 PROCESS FOR PREPARING A COMPOUND BY A NOVEL SANDMEYER-LIKE REACTION USING A NITROXIDE RADICAL COMPOUND AS A REACTION CATALYST DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-06 US disclosed
US-20120035369-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE DIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-09 US disclosed
EP-2407457-A1 PROCESS FOR PRODUCING DIAMINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-18 EP disclosed
EP-2407450-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE DIAMINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-18 EP 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 (2 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-20130144061-A1 PROCESS FOR PREPARING A COMPOUND BY A NOVEL SANDMEYER-LIKE REACTION USING A NITROXIDE RADICAL COMPOUND AS A REACTION CATALYST TYR, NOX5, NOXO1 GLA 3742/4885L3MBTL1 4763/4885PTK2 2354/4885
US-20120035369-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE DIAMINE DERIVATIVE F12, DAO, TFPI GLA 615/4885L3MBTL1 4143/4885PTK2 3816/4885

“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.