Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1192159

COc1ccc(OC)c(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2cccnc2)c1.Cl

nearest known ligand 0.51

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
KCNK3 known ✓ O14649 1/20 0.48
KCNH2 known ✓ Q12809 1/20 0.48
GAA known ✓ P10253 1/20 0.46
KMT2A Q03164 2/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
TSHR P16473 1/20 0.49
BLM P54132 1/20 0.49
RECQL P46063 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
POLB P06746 2/20 0.47
MAPK8 P45983 1/20 0.47
ALDH1A1 P00352 5/20 0.46
RAB9A P51151 1/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL4930152 0.99 KMT2A (0.49) KMT2AMAPTMEN1SMN1; SMN2CYP1A2
SCHEMBL5403729 0.91 RAB9A (0.52) KMT2AMAPTMEN1TSHRHTT
SCHEMBL5392400 0.90 HTT (0.52) KMT2AMAPTCYP1A2CYP3A4TSHR
SCHEMBL5393968 0.89 RAB9A (0.60) KMT2AMAPTHTTPOLBMAPK8
SCHEMBL4925143 0.89 TAS1R3 (0.50) MAPTHTTPOLBMAPK8ALDH1A1
SCHEMBL5403376 0.88 RAB9A (0.56) KMT2AMAPTMEN1SMN1; SMN2RECQL
SCHEMBL5412112 0.88 KCNK3 (0.55) KMT2AMAPTMEN1SMN1; SMN2RECQL
SCHEMBL5402996 0.87 POLB (0.54) KMT2AMAPTCYP1A2CYP3A4TSHR
SCHEMBL4930711 0.87 KMT2A (0.52) KMT2AMAPTMEN1SMN1; SMN2CYP1A2
SCHEMBL5392453 0.87 RAB9A (0.52) KMT2AMAPTMEN1HTTMAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9579335-B2 Treatment of cystic diseases INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2017-02-28 US claimed
US-20160000814-A1 TREATMENT OF CYSTIC DISEASES THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2016-01-07 US claimed
US-20120094959-A1 TREATMENT OF CYSTIC DISEASES INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2012-04-19 US claimed
US-20110044973-A1 TREATMENT OF CYSTIC DISEASE WITH LYSOPHOSPHATIDIC ACID ANTAGONISTS BLAZER-YOST BONNIE 2011-02-24 US claimed
US-9579335-B2 Treatment of cystic diseases INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2017-02-28 US disclosed
WO-2016025879-A1 TREATMENT OF CYSTIC DISEASES INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-02-18 WO disclosed
US-20160000814-A1 TREATMENT OF CYSTIC DISEASES THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2016-01-07 US disclosed
US-20120094959-A1 TREATMENT OF CYSTIC DISEASES INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2012-04-19 US disclosed
US-20110044973-A1 TREATMENT OF CYSTIC DISEASE WITH LYSOPHOSPHATIDIC ACID ANTAGONISTS BLAZER-YOST BONNIE 2011-02-24 US disclosed
US-20080064731-A1 REMEDY FOR CHRONIC DISEASE ONO PHARMACEUTICAL CO.,LTD. 2008-03-13 US disclosed
US-7300917-B2 Remedy for chronic disease ONO PHARMACEUTICALS CO., LTD. (JP) 2007-11-27 US disclosed
US-20060135577-A1 Remedy for chronic disease ONO PHARMACEUTICAL CO., LTD. (JP) 2006-06-22 US disclosed
EP-1550461-A1 REMEDY FOR CHRONIC DISEASE ONO PHARMACEUTICAL CO., LTD. (JP) 2005-07-06 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 (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-20080064731-A1 REMEDY FOR CHRONIC DISEASE EDNRA, EDNRB, LPAR2 KCNK3 3034/4885KCNH2 3295/4885GAA 895/4885
US-20120094959-A1 TREATMENT OF CYSTIC DISEASES CFTR, LPCAT3, LPCAT1 KCNK3 788/4885KCNH2 1079/4885GAA 663/4885
US-20160000814-A1 TREATMENT OF CYSTIC DISEASES CFTR, LPCAT3, LPCAT1 KCNK3 788/4885KCNH2 1079/4885GAA 663/4885
US-20060135577-A1 Remedy for chronic disease EDNRA, EDNRB, LPAR2 KCNK3 3034/4885KCNH2 3295/4885GAA 895/4885

“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.