Hydrochloric Acid

Hydrochloric Acid

SCHEMBL657578

Cl.O=C(O)CC(Nc1nc2cc(Cl)ccc2[nH]1)c1ccc(Cl)cc1

nearest known ligand 0.42

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 19)

geneUniProtsupporting neighboursconfidence
PRKCZ known ✓ Q05513 6/20 0.42
ITGB3 known ✓ P05106 1/20 0.39
FFAR2 O15552 1/20 0.42
CYP26A1 O43174 1/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
ITGAV P06756 1/20 0.39
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.39
CTSA P10619 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL2356966 0.99 PRKCZ (0.43) PRKCZFFAR2CYP26A1KDM4EPOLB
SCHEMBL2356968 0.89 PRKCZ (0.53) PRKCZFFAR2POLBRAB9ALMNA
Hydrochloric Acid SCHEMBL658248 0.78 PRKCZ (0.45) PRKCZRAB9ALMNATSHRHSD17B10
SCHEMBL2302338 0.77 PRKCZ (0.46) PRKCZRAB9ALMNATSHRHSD17B10
Hydrochloric Acid SCHEMBL657199 0.75 PRKCZ (0.71) PRKCZKDM4ERAB9ALMNATSHR
SCHEMBL659483 0.74 PRKCZ (0.72) PRKCZKDM4ERAB9ALMNATSHR
SCHEMBL5794188 0.70 SCN10A (0.45) PRKCZRAB9AHSD17B10CYP1A2
Hydrochloric Acid SCHEMBL657786 0.70 PRKCZ (0.49) PRKCZKDM4EPOLBRAB9AMAPT
Hydrochloric Acid SCHEMBL657315 0.70 PRKCZ (0.67) PRKCZKDM4ERAB9ANPC1
Hydrochloric Acid SCHEMBL658550 0.70 PRKCZ (0.62) PRKCZKDM4ERAB9AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US claimed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 EP claimed
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
US-9051404-B2 Propylene copolymers for adhesive applications EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-06-09 US disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-20140080974-A1 Propylene Copolymers for Adhesive Applications EXXONMOBIL CHEMICAL PATENTS INC. 2014-03-20 US disclosed
EP-2376569-B1 THERMOPLASTIC OLEFIN COMPOSITIONS EXXONMOBIL CHEM PATENTS INC (US) 2013-08-14 EP disclosed
EP-1620479-B1 POLYOLEFIN ADHESIVE COMPOSITIONS AND ARTICLES MADE THEREFROM EXXONMOBIL CHEM PATENTS INC (US) 2013-07-24 EP disclosed
EP-2376570-B1 HETEROGENEOUS IN-REACTOR POLYMER BLENDS EXXONMOBIL CHEM PATENTS INC (US) 2013-05-29 EP disclosed
EP-1558655-B1 MULTIPLE CATALYST SYSTEM FOR OLEFIN POLYMERIZATION AND POLYMERS PRODUCED THEREFROM EXXONMOBIL CHEM PATENTS INC (US) 2012-08-29 EP disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
US-20100152390-A1 Heterogeneous In-Reactor Polymer Blends EXXONMOBIL CHEMICAL PATENTS INC. 2010-06-17 US disclosed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 EP disclosed
US-7662895-B2 comprising polypropylene which is produced in presence of a metallocene transition metal catalyst and an activator; peak melting point temperature below about 110 degrees C., a tensile set of 40% or less, and greater than or equal to about 60% [r]dyads EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-02-16 US disclosed
US-20070117941-A1 Syndiotactic propylene elastomers EXXONMOBIL CHEMICAL PATENTS INC. 2007-05-24 US disclosed
EP-0807143-B1 THERMOPLASTIC PROPYLENE ELASTOMERS AND ONE POT/TWO CATALYSTS PROCESS TO PRODUCE THEM EXXON CHEMICAL PATENTS INC (US) 2000-03-15 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 (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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB PRKCZ 26/4885ITGB3 3807/4885FFAR2 4084/4885

“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.