Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1509729

Cl.O=C(C1CCCC1)C1Cc2ccccc2C=N1

nearest known ligand 0.35

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 18)

geneUniProtsupporting neighboursconfidence
GAA known ✓ P10253 1/20 0.33
KEAP1 Q14145 1/20 0.35
POLB P06746 2/20 0.34
RIPK1 Q13546 3/20 0.33
HPGD P15428 2/20 0.33
CYP2C19 P33261 1/20 0.33
P2RX7 Q99572 2/20 0.32
ALDH1A1 P00352 2/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NAMPT P43490 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL14953404 0.98 KEAP1 (0.35) KEAP1POLBRIPK1HPGDCYP2C19
SCHEMBL16431429 0.78 GAA (0.39) GAAKMT2ASMN1; SMN2
SCHEMBL27453351 0.74 HDAC4 (0.42)
SCHEMBL28056863 0.73 TRPA1 (0.42) POLBCYP2C19KMT2A
SCHEMBL28144463 0.68 XIAP (0.40) ALDH1A1KMT2A
SCHEMBL28144460 0.68 XIAP (0.40) ALDH1A1KMT2A
SCHEMBL30452418 0.67 NOS2 (0.40)
Hydrochloric Acid SCHEMBL1509727 0.64 KMT2A (0.47) POLBKMT2A
SCHEMBL31303677 0.63 NOS3 (0.43)
SCHEMBL18464841 0.63 TRPA1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675578-B9 INHIBITORS OF GLUTAMINYL AND GLUTAMATE CYCLASES FOR THE TREATMENT OF THE NEURODEGENERATIVE DISEASES FBD AND FDD PROBIODRUG AG (DE) 2014-06-25 EP claimed
US-8470781-B2 Use of effectors of glutaminyl and glutamate cyclases PROBIODRUG AG (DE) 2013-06-25 US claimed
EP-1675578-B1 INHIBITORS OF GLUTAMINYL AND GLUTAMATE CYCLASES FOR THE TREATMENT OF THE NEURODEGENERATIVE DISEASES FBD AND FDD PROBIODRUG AG (DE) 2013-05-22 EP claimed
EP-2289498-A1 Use of inhibitors of glutaminyl clyclase Probiodrug AG (DE) 2011-03-02 EP claimed
EP-1620082-B9 MEDICAL USE OF INHIBITORS OF GLUTAMINYL AND GLUTAMATE CYCLASES FOR TREATING ALZHEIMER'S DISEASE AND DOWN SYNDROME PROBIODRUG AG (DE) 2010-08-25 EP claimed
EP-2206496-A1 Medical use of inhibitors of glutaminyl and glutamate cyclases Probiodrug AG (DE) 2010-07-14 EP claimed
EP-1620082-B1 MEDICAL USE OF INHIBITORS OF GLUTAMINYL AND GLUTAMATE CYCLASES FOR TREATING ALZHEIMER'S DISEASE AND DOWN SYNDROME PROBIODRUG AG (DE) 2010-04-21 EP claimed
US-20090149394-A1 USE OF EFFECTORS OF GLUTAMINYL AND GLUTAMATE CYCLASES PROBIODRUG AG (DE) 2009-06-11 US claimed
US-7462599-B2 Use of effectors of glutaminyl and glutamate cyclases PROBIODRUG AG (DE) 2008-12-09 US claimed
EP-1961416-A1 Medical use of inhibitors of glutaminyl and glutamate cyclases Probiodrug AG (DE) 2008-08-27 EP claimed
US-7381537-B2 Use of inhibitors of glutaminyl cyclases for treatment and prevention of disease PROBIODRUG AG (DE) 2008-06-03 US claimed
US-20060189523-A1 Use of effectors of glutaminyl and glutamate cyclases PROBIODRUG AG (DE) 2006-08-24 US claimed
US-20050014946-A1 Substituted amino ketone compounds PROSIDION LIMITED (GB) 2005-01-20 US claimed
EP-1442049-A2 SUBSTITUTED AMINO KETONE COMPOUNDS Probiodrug AG (DE) 2004-08-04 EP claimed
US-20030125304-A1 Substituted amino ketone compounds PROSIDION LIMITED (GB) 2003-07-03 US claimed
WO-2003040174-A2 SUBSTITUTED AMINO KETONE COMPOUNDS PROBIODRUG AG (DE) 2003-05-15 WO claimed
EP-1675578-B9 INHIBITORS OF GLUTAMINYL AND GLUTAMATE CYCLASES FOR THE TREATMENT OF THE NEURODEGENERATIVE DISEASES FBD AND FDD PROBIODRUG AG (DE) 2014-06-25 EP disclosed
US-8470781-B2 Use of effectors of glutaminyl and glutamate cyclases PROBIODRUG AG (DE) 2013-06-25 US disclosed
US-20030125304-A1 Substituted amino ketone compounds PROSIDION LIMITED (GB) 2003-07-03 US disclosed
WO-2003040174-A2 SUBSTITUTED AMINO KETONE COMPOUNDS PROBIODRUG AG (DE) 2003-05-15 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-20060189523-A1 Use of effectors of glutaminyl and glutamate cyclases GLS, GLUL, GLS2 GAA 288/4885KEAP1 605/4885POLB 1066/4885
US-20050014946-A1 Substituted amino ketone compounds GPR119, GLS, GCKR GAA 890/4885KEAP1 935/4885POLB 2112/4885
US-20090149394-A1 USE OF EFFECTORS OF GLUTAMINYL AND GLUTAMATE CYCLASES GLS, GLUL, GLS2 GAA 288/4885KEAP1 605/4885POLB 1066/4885
US-20030125304-A1 Substituted amino ketone compounds SLC5A1, GLS, GPR119 GAA 1131/4885KEAP1 554/4885POLB 1697/4885

“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.