Hydrochloric Acid

Hydrochloric Acid

SCHEMBL625383

CCc1cccc(CC)c1N.Cl

nearest known ligand 0.52

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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
GABRA1 known ✓ P14867 4/20 0.52
GABRB2 known ✓ P47870 4/20 0.52
SCN5A known ✓ Q14524 2/20 0.35
GAA known ✓ P10253 1/20 0.35
KCNH2 known ✓ Q12809 1/20 0.35
CACNA1C known ✓ Q13936 1/20 0.35
ATP4A P20648 1/20 0.42
ATP4B P51164 1/20 0.42
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
ELANE P08246 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MGLL Q99685 1/20 0.37
PDK2 Q15119 1/20 0.36
TLR8 Q9NR97 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL262868 0.97 GABRA1 (0.55) GABRA1GABRB2ATP4AATP4BPOLB
SCHEMBL1332031 0.97 GABRA1 (0.55) GABRA1GABRB2ATP4AATP4BPOLB
Propane SCHEMBL27547406 0.94 GABRA1 (0.52) GABRA1GABRB2ATP4AATP4BPOLB
Methane SCHEMBL28083182 0.94 GABRA1 (0.52) GABRA1GABRB2ATP4AATP4BPOLB
SCHEMBL30319989 0.94 GABRA1 (0.52) GABRA1GABRB2ATP4AATP4BPOLB
SCHEMBL28144550 0.94 GABRA1 (0.52) GABRA1GABRB2ATP4AATP4BPOLB
SCHEMBL28967677 0.94 GABRA1 (0.52) GABRA1GABRB2ATP4AATP4BPOLB
Hydrochloric Acid SCHEMBL28782819 0.92 GABRA1 (0.50) GABRA1GABRB2ATP4AATP4BPOLB
SCHEMBL30303201 0.90 GABRA1 (0.48) GABRA1GABRB2ATP4AATP4BPOLB
SCHEMBL350947 0.90 GABRA1 (0.54) GABRA1GABRB2ATP4AATP4BPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105693526-A Preparation method of 4,4'-methylene-bis-(3-chloro-2,6-diethylaniline) 衢州信步化工科技有限公司 2016-06-22 CN claimed
WO-2012019759-A2 COMPOSITIONS FOR THE PRODUCTION OF POLYURETHANES WITH ADJUSTABLE GEL TIME LONZA LTD (CH) 2012-02-16 WO claimed
EP-1897881-A2 Compounds useful for the treatment of obesity, type II diabetes and CNS disorders Biovitrum AB (publ) (SE) 2008-03-12 EP claimed
CN-101081845-A Substituted sulphone and sulphonamide compounds useful for the treatment of obesity, type II diabetes and cns disorders BIOVITRUM AB (SE) 2007-12-05 CN claimed
CN-1662521-A Novel compounds useful for the treatment of obesity, type II diabetes and CNS disorders BIOVITRUM AB (SE) 2005-08-31 CN claimed
EP-1513828-A1 NEW COMPOUNDS USEFUL FOR THE TREATMENT OF OBESITY, TYPE II DIABETES AND CNS DISORDERS Biovitrum AB (SE) 2005-03-16 EP claimed
US-20040024210-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2004-02-05 US claimed
WO-2004000828-A1 NEW COMPOUNDS USEFUL FOR THE TREATMENT OF OBESITY, TYPE II DIABETES AND CNS DISORDERS BIOVITRUM AB (SE) 2003-12-31 WO claimed
EP-1964860-B1 ETHYLENE POLYMER, CATALYST FOR PRODUCTION OF ETHYLENE POLYMER, AND PROCESS FOR PRODUCTION OF ETHYLENE POLYMER TOSOH CORP (JP) 2017-07-05 EP disclosed
CN-106349103-A Method for preparing N-dichloro methylene aniline type compound 浙江工业大学 2017-01-25 CN disclosed
CN-106316880-A Synthetic method of N-dichloromethylene aniline derivative 浙江工业大学 2017-01-11 CN disclosed
CN-105693526-A Preparation method of 4,4'-methylene-bis-(3-chloro-2,6-diethylaniline) 衢州信步化工科技有限公司 2016-06-22 CN disclosed
CN-105693526-A Preparation method of 4,4'-methylene-bis-(3-chloro-2,6-diethylaniline) 衢州信步化工科技有限公司 2016-06-22 CN disclosed
US-8841396-B2 Ethylene-α-olefin copolymer and molded article SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-23 US disclosed
WO-2001030915-A1 8-(ANILINO)-1-NAPHTHALENESULFONATE ANALOGS AND THEIR USE IN ANALYTE DETECTION ASSAYS LIFESCAN, INC. (US) 2001-05-03 WO disclosed
US-6218571-B1 COUPLING WITH 3-METHYL-2-BENZOTHIAZOLINONE HYDRAZONE HYDROCHLORIDE TO MAKE DYE; REDUCED DRIFT; GLUCOSE DETECTION IN BLOOD LIFESCAN, INC. 2001-04-17 US disclosed
US-6110858-A AN OLEFIN POLYMERIZATION CATALYST CONSISTS OF A TRANSITION METAL COMPOUND, A MODIFIED CLAY COMPOUND CONTAINING CLAY MINERAL AND AN AMINE COMPOUND AND AN ORGANOALUMINUM COMPOUND TOSOH CORPORATION (JP) 2000-08-29 US disclosed
EP-0849292-A1 Olefin polymerisation catalysts and processes for producing olefin polymers TOSOH CORPORATION (JP) 1998-06-24 EP disclosed
US-4289906-A Chemical process for preparing methylene bis-anilines ETHYL CORPORATION (US) 1981-09-15 US disclosed
US-RE29468-E Process for making a C1 -C7 aliphatic hydrocarbyl ester of an N-[2,6-di(C1 -C7 alkyl)phenyl] α-aminocarboxylic acid HERCULES INCORPORATED (US) 1977-11-08 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 (1 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-20040024210-A1 New compounds SULT1E1, SULT2A1, SULT1A1 GABRA1 480/4885GABRB2 86/4885SCN5A 730/4885

“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.