Hydrochloric Acid

Hydrochloric Acid

SCHEMBL980759

Cl.NNc1ccc(C(N)=O)cc1

nearest known ligand 0.50

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
PARP1 known ✓ P09874 2/20 0.48
CA2 known ✓ P00918 2/20 0.45
ROCK1 known ✓ Q13464 1/20 0.43
KLKB1 known ✓ P03952 1/20 0.43
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
KMT2A Q03164 3/20 0.48
PARP10 Q53GL7 2/20 0.48
PARP4 Q9UKK3 2/20 0.48
PARP15 Q460N3 1/20 0.48
PARP14 Q460N5 1/20 0.48
PARP16 Q8N5Y8 1/20 0.48
PARP11 Q9NR21 1/20 0.48
MAPT P10636 2/20 0.48
TSHR P16473 2/20 0.48
HSD17B10 Q99714 2/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 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
SCHEMBL11353187 0.98 ALDH1A1 (0.52) ALDH1A1L3MBTL1KMT2APARP10PARP4
Terephthalamide SCHEMBL1087289 0.82 PARP1 (0.67) ALDH1A1L3MBTL1KMT2APARP10PARP4
Terephthalamide SCHEMBL11512422 0.82 PARP1 (0.67) ALDH1A1L3MBTL1KMT2APARP10PARP4
Hydrochloric Acid SCHEMBL83661 0.81 TSHR (0.57) ALDH1A1KMT2AMAPTTSHRPOLB
SCHEMBL4853473 0.80 MAPK13 (0.52) ALDH1A1L3MBTL1KMT2AMAPTPOLB
Hydrochloric Acid SCHEMBL28169553 0.79 MPO (0.61) ALDH1A1L3MBTL1KMT2AMAPTPOLB
Hydrazine SCHEMBL28169554 0.79 TSHR (0.55) ALDH1A1KMT2AMAPTTSHRPOLB
Terephthalamide SCHEMBL23774 0.79 PARP1 (0.71) ALDH1A1L3MBTL1KMT2APARP10PARP4
SCHEMBL24206451 0.78 MAPT (0.44) ALDH1A1L3MBTL1KMT2AMAPTPOLB
SCHEMBL7034 0.78 TSHR (0.60) ALDH1A1KMT2AMAPTTSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118511876-A Tebufenozide nano-suspension agent and preparation method thereof 山西奇星农药有限公司 2024-08-20 CN claimed
CN-118511876-A Tebufenozide nano-suspension agent and preparation method thereof 山西奇星农药有限公司 2024-08-20 CN disclosed
US-8741944-B2 Anti-infective agents against intracellular pathogens THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2014-06-03 US disclosed
US-8580827-B2 Anti-Francisella agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-11-12 US disclosed
US-8546441-B2 PDK-1/AKT signaling inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-10-01 US disclosed
US-8541460-B2 Phosphoinositide-dependent kinase-1 (PDK-1) inhibitors; for the treatment and prevention of cancer in humans; 4-[5-(2-Phenanthracenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-benzenecarboxamide THE OHIO STATE UNIVERSITY (US) 2013-09-24 US disclosed
EP-2246332-B1 Pyrazole derivatives as anti-francisella agents UNIV OHIO STATE RES FOUND (US) 2013-09-18 EP disclosed
US-20130237575-A1 ANTI-INFECTIVE AGENTS AGAINST INTRACELLULAR PATHOGENS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-09-12 US disclosed
US-8445483-B1 Anti-infective agents against intracellular pathogens THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-05-21 US disclosed
US-20130109681-A1 ANTI-INFECTIVE AGENTS AGAINST INTRACELLULAR PATHOGENS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-05-02 US disclosed
EP-1696907-A1 PDK-1/AKT SIGNALING INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2006-09-06 EP disclosed
US-20060142368-A1 Compounds and methods for inducing apoptosis in proliferating cells MRDC 2006-06-29 US disclosed
US-20060079566-A1 PDK-1/Akt signaling inhibitors THE NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2006-04-13 US disclosed
US-7026346-B2 Compounds and methods for inducing apoptosis in proliferating cells THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2006-04-11 US disclosed
EP-1499597-A4 COMPOUNDS AND METHODS FOR INDUCING APOPTOSIS IN PROLIFERATING CELLS UNIV OHIO STATE RES FOUND (US) 2006-01-25 EP disclosed
WO-2005044130-A9 PDK-1/AKT SIGNALING INHIBITORS UNIV OHIO STATE RES FOUND (US) 2005-09-15 WO disclosed
WO-2005044130-A1 PDK-1/AKT SIGNALING INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2005-05-19 WO disclosed
EP-1499597-A2 COMPOUNDS AND METHODS FOR INDUCING APOPTOSIS IN PROLIFERATING CELLS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2005-01-26 EP disclosed
US-20030236294-A1 Compounds and methods for inducing apoptosis in proliferating cells NIH - DEITR 2003-12-25 US disclosed
WO-2003086287-A2 COMPOUNDS AND METHODS FOR INDUCING APOPTOSIS IN PROLIFERATING CELLS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2003-10-23 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 (5 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-20060079566-A1 PDK-1/Akt signaling inhibitors PDPK1, PDXK, PDK3 PARP1 681/4885CA2 2951/4885ROCK1 449/4885
US-20030236294-A1 Compounds and methods for inducing apoptosis in proliferating cells MCL1, BRDT, BAD PARP1 1201/4885CA2 637/4885ROCK1 326/4885
US-20130237575-A1 ANTI-INFECTIVE AGENTS AGAINST INTRACELLULAR PATHOGENS PDPK1, PLK3, SIK3 PARP1 2906/4885CA2 2425/4885ROCK1 1300/4885
US-20130109681-A1 ANTI-INFECTIVE AGENTS AGAINST INTRACELLULAR PATHOGENS PDPK1, PLK3, SIK3 PARP1 2906/4885CA2 2425/4885ROCK1 1300/4885
US-20060142368-A1 Compounds and methods for inducing apoptosis in proliferating cells MCL1, BRDT, BAD PARP1 990/4885CA2 659/4885ROCK1 400/4885

“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.