Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2887150

CC(C)(NCCCn1ccnc1)c1ccc(Cl)cc1.Cl.Cl

nearest known ligand 0.55

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 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
QPCT Q16769 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
PKM P14618 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL8443962 0.99 LMNA (0.56) LMNAQPCTCYP1A2CYP3A4CYP2D6
SCHEMBL8444094 0.95 TP53 (0.52) LMNAQPCTCYP1A2CYP3A4CYP2D6
SCHEMBL8445868 0.94 ALDH1A1 (0.51) LMNAQPCTCYP1A2CYP3A4CYP2D6
SCHEMBL8446124 0.94 ALDH1A1 (0.51) LMNAQPCTCYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL8949432 0.88 ALDH1A1 (0.55) LMNAQPCTSMN1; SMN2ALDH1A1MEN1
SCHEMBL8949449 0.87 ALDH1A1 (0.56) LMNAQPCTSMN1; SMN2ALDH1A1TP53
SCHEMBL7879569 0.86 QPCT (0.49) LMNAQPCTCYP1A2CYP3A4CYP2D6
SCHEMBL13696720 0.85 CYP11B1 (0.55) QPCTSMN1; SMN2ALDH1A1
Citric Acid SCHEMBL8445980 0.85 LMNA (0.54) LMNAQPCTCYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL8445789 0.85 QPCT (0.51) LMNAQPCTCYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1892239-B1 Inhibitors of cytosolic phospholipase A2 WYETH LLC (US) 2013-02-20 EP disclosed
US-8283373-B2 Inhibitors of cytosolic phospholipase A2 PFIZER INC. (US) 2012-10-09 US disclosed
CN-102040550-B Inhibitors of cytosolic phospholipase A2 WYETH CORP 2012-10-03 CN disclosed
CN-101628888-B Inhibitors of cytosolic phospholipase a2 WYETH CORP 2012-05-23 CN disclosed
CN-102040550-A Inhibitors of cytosolic phospholipase A2 WYETH CORP 2011-05-04 CN disclosed
CN-101184729-B Cytosolic phospholipase A2Inhibitors WYETH CORP 2011-02-16 CN disclosed
EP-2248801-A1 Inhibitors of cytosolic phospholipase a2 Wyeth LLC (US) 2010-11-10 EP disclosed
US-7713964-B2 Methods for treating asthmatic conditions WYETH LLC (US) 2010-05-11 US disclosed
US-20100029645-A1 Inhibitors of Cytosolic Phospholipase A2 WYETH LLC 2010-02-04 US disclosed
US-20100022536-A1 Inhibitors of Cytosolic Phospholipase A2 NOVARTIS AG (CH) 2010-01-28 US disclosed
EP-1451154-B1 INHIBITORS OF CYTOSOLIC PHOSPHOLIPASE A2 WYETH CORP (US) 2008-01-16 EP disclosed
US-20070004719-A1 Inhibitors of cytosolic phospholipase A2 WYETH (US) 2007-01-04 US disclosed
WO-2006128142-A2 INHIBITORS OF CYTOSOLIC PHOSPHOLIPASE A2 WYETH (US) 2006-11-30 WO disclosed
CN-1617855-A Cytosolic phospholipase A2Inhibitors WYETH CORP (US) 2005-05-18 CN disclosed
EP-1451154-A2 INHIBITORS OF CYTOSOLIC PHOSPHOLIPASE A2 Wyeth (US) 2004-09-01 EP disclosed
US-20030149029-A1 Methods for treating asthmatic conditions WYETH 2003-08-07 US disclosed
WO-2003048122-A2 INHIBITORS OF CYTOSOLIC PHOSPHOLIPASE A2 WYETH (US) 2003-06-12 WO disclosed
EP-0618907-B1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS BRITISH TECH GROUP INT (GB) 1999-04-28 EP disclosed
US-5547972-A 1-(ARLALKYLAMINOALKYL) IMIDAZOLE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1996-08-20 US disclosed
WO-1993013075-A1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS THE BOOTS COMPANY PLC (GB) 1993-07-08 WO 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-20100022536-A1 Inhibitors of Cytosolic Phospholipase A2 PLA2G4B, PLA2G4A, PLA2G12A LMNA 782/4885QPCT 1248/4885CYP1A2 722/4885
US-20100029645-A1 Inhibitors of Cytosolic Phospholipase A2 PLA2G4B, PLA2G4A, PLA2G12A LMNA 782/4885QPCT 1248/4885CYP1A2 722/4885
US-20030149029-A1 Methods for treating asthmatic conditions PLA2G4A, PLA2G4B, PLA2G1B LMNA 2545/4885QPCT 1341/4885CYP1A2 382/4885
US-20070004719-A1 Inhibitors of cytosolic phospholipase A2 PLA2G4B, PLA2G4A, PLA2G12A LMNA 782/4885QPCT 1248/4885CYP1A2 722/4885

“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.