Hydrochloric Acid

Hydrochloric Acid

SCHEMBL128949

COc1ccc(N(N)Cc2ccc(Cl)cc2)cc1.Cl

nearest known ligand 0.53

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 13)

geneUniProtsupporting neighboursconfidence
BCL2A1 Q16548 2/20 0.53
CNR2 P34972 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
AOC3 Q16853 2/20 0.44
IDO1 P14902 2/20 0.43
AGXT P21549 2/20 0.43
APLNR P35414 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
PYCR1 P32322 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL9145895 0.98 BCL2A1 (0.55) BCL2A1CNR2SMN1; SMN2AOC3IDO1
Pivalate SCHEMBL9391221 0.88 BCL2A1 (0.53) BCL2A1CNR2SMN1; SMN2ALDH1A1HTT
Hydrochloric Acid SCHEMBL9518394 0.86 AOC3 (0.44) BCL2A1CNR2AOC3IDO1AGXT
SCHEMBL9737481 0.84 AOC3 (0.45) BCL2A1CNR2AOC3IDO1AGXT
Hydrochloric Acid SCHEMBL9736382 0.84 APP (0.51) SMN1; SMN2AOC3IDO1AGXTAPLNR
Hydrochloric Acid SCHEMBL1253767 0.84 MEN1 (0.47) AOC3IDO1AGXTAPLNRALDH1A1
Hydrochloric Acid SCHEMBL9471980 0.84 TAS2R14 (0.44) CNR2AOC3IDO1AGXTAPLNR
SCHEMBL12014951 0.83 ACHE (0.52) CNR2AOC3IDO1AGXTAPLNR
Hydrochloric Acid SCHEMBL9737798 0.83 LTA4H (0.52) CNR2AOC3ALDH1A1TDP1
SCHEMBL3140679 0.82 MEN1 (0.49) AOC3IDO1AGXTAPLNRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5326869-A Chemical process IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1994-07-05 US claimed
US-20200147064-A1 Reduction of Pro-Inflammatory HDL Using a Leukotriene Inhibitor AUTOIMMUNE PHARMA LLC (US) 2020-05-14 US disclosed
WO-2018152405-A1 REDUCTION OF PRO-INFLAMMATORY HDL USING A LEUKOTRIENE INHIBITOR AUTOIMMUNE PHARMA LLC (US) 2018-08-23 WO disclosed
US-8841295-B2 5-lipoxygenase-activating protein (FLAP) inhibitors PANMIRA PHARMACEUTICALS, LLC (US) 2014-09-23 US disclosed
US-8710081-B2 5-lipoxygenase-activating protein (FLAP) inhibitors PANMIRA PHARMACEUTICALS, LLC (US) 2014-04-29 US disclosed
US-20140018394-A1 5-LIPOXGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AUTOIMMUNE PHARMA LLC 2014-01-16 US disclosed
US-8546431-B2 5-lipoxygenase-activating protein (FLAP) inhibitors PANMIRA PHARMACEUTICALS, LLC (US) 2013-10-01 US disclosed
US-20130102636-A1 5-Lipoxygenase-Activating Protein (FLAP) Inhibitors Panmira Pharmaceuticals, Inc. (US) 2013-04-25 US disclosed
US-8399666-B2 5-lipoxygenase-activating protein (FLAP) inhibitors PANMIRA PHARMACEUTICALS, LLC (US) 2013-03-19 US disclosed
EP-1943219-B8 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS PANMIRA PHARMACEUTICALS LLC (US) 2012-03-07 EP disclosed
US-4906654-A Cyclohept[b]indoleakanoic acids, pharmaceutical compositions and use MERCK FROSST CANADA, INC. (CA) 1990-03-06 US disclosed
EP-0166591-B1 INDOLE-2-ALKANOIC ACIDS AND THEIR USE AS PROSTAGLANDIN ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1989-11-23 EP disclosed
EP-0310179-A2 Tetrahydrocarbazole esters MERCK FROSST CANADA INC. (CA) 1989-04-05 EP disclosed
EP-0307077-A1 Tetrahydrocarbazoles for the improvement of cyclosporin therapy MERCK FROSST CANADA INC. (CA) 1989-03-15 EP disclosed
US-4808608-A ANTIALLERGENS, HYPOTENSIVE AGENT, ANTICOAGULANT MERCK & CO., INC. (US) 1989-02-28 US disclosed
EP-0300676-A2 Tetrahydrocarbazole 1-alkanoic acids MERCK FROSST CANADA INC. (CA) 1989-01-25 EP disclosed
US-4775680-A PROSTAGLANDIN ANTAGONISTS MERCK & CO., INC. (US) 1988-10-04 US disclosed
EP-0239306-A2 Tetrahydrocarbazole esters MERCK FROSST CANADA INC. (CA) 1987-09-30 EP disclosed
EP-0234708-A1 Tetrahydrocarbazole 1-alkanoic acids MERCK FROSST CANADA INC. (CA) 1987-09-02 EP disclosed
EP-0166591-A2 Indole-2-alkanoic acids and their use as prostaglandin antagonists MERCK FROSST CANADA INC. (CA) 1986-01-02 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 (3 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-20200147064-A1 Reduction of Pro-Inflammatory HDL Using a Leukotriene Inhibitor LTB4R, LTC4S, LTB4R2 BCL2A1 4010/4885CNR2 821/4885SMN1; SMN2 4086/4885
US-20140018394-A1 5-LIPOXGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, LTA4H, ALOX5AP BCL2A1 3202/4885CNR2 3264/4885SMN1; SMN2 4249/4885
US-20130102636-A1 5-Lipoxygenase-Activating Protein (FLAP) Inhibitors ALOX5, ALOX15B, ALOX15 BCL2A1 2442/4885CNR2 2883/4885SMN1; SMN2 1749/4885

“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.