Hydrochloric Acid

Hydrochloric Acid

SCHEMBL498746

CCNc1cc2c(c3ccccc13)Nc1ccc(N(CC)CC)cc1S2.Cl

nearest known ligand 0.33

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
GAA known ✓ P10253 4/20 0.33
EGFR known ✓ P00533 1/20 0.30
MAPT P10636 3/20 0.33
HTT P42858 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
IDO1 P14902 1/20 0.32
NOX1 Q9Y5S8 2/20 0.32
RPS6KA2 Q15349 1/20 0.31
MAPK1 P28482 1/20 0.31
CDK2 P24941 1/20 0.30
MEN1 O00255 3/20 0.30

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
Hydrochloric Acid SCHEMBL20994607 1.00 GAA (0.33) GAAMAPTHTTTDP1KDM4E
SCHEMBL29565964 0.99 IDO1 (0.33) GAAMAPTHTTTDP1KDM4E
SCHEMBL29912733 0.99 IDO1 (0.33) GAAMAPTHTTTDP1KDM4E
SCHEMBL1133892 0.99 IDO1 (0.33) GAAMAPTHTTTDP1KDM4E
Hydrochloric Acid SCHEMBL29920895 0.87 KDM4E (0.31) GAAMAPTHTTTDP1KDM4E
Hydrochloric Acid SCHEMBL6806923 0.87 KDM4E (0.31) GAAMAPTHTTTDP1KDM4E
SCHEMBL31086299 0.86 SNCA (0.31) SNCA
SCHEMBL1769919 0.82 MEN1 (0.36) MAPTTDP1KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL498310 0.78 KDM4E (0.33) GAAMAPTHTTTDP1KDM4E
Hydrochloric Acid SCHEMBL20994598 0.78 KDM4E (0.33) GAAMAPTHTTTDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230149546-A1 PHOTOSENSITIZER CONJUGATED GOLD NANOPARTICLES FOR RADIOTHERAPY ENHANCEMENT BIOVENTURES, LLC 2023-05-18 US claimed
WO-2021211975-A1 PHOTOSENSITIZER CONJUGATED NANOPARTICLES FOR RADIOTHERAPY ENHANCEMENT BIOVENTURES, LLC (US) 2021-10-21 WO claimed
US-10646570-B2 Induced photodynamic therapy using nanoparticle scintillators as transducers UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2020-05-12 US claimed
EP-3157337-B1 INDUCED PHOTODYNAMIC THERAPY USING NANOPARTICLE SCINTILLATORS AS TRANSDUCERS UNIV GEORGIA (US) 2019-05-29 EP claimed
US-20180094292-A1 Photoactivatable Antimicrobial Agents And Therapeutic And Diagnostic Methods Of Using Same THE GENERAL HOSPITAL CORPORATION 2018-04-05 US claimed
US-20170209575-A1 INDUCED PHOTODYNAMIC THERAPY USING NANOPARTICLE SCINTILLATORS AS TRANSDUCERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-07-27 US claimed
EP-3157337-A2 INDUCED PHOTODYNAMIC THERAPY USING NANOPARTICLE SCINTILLATORS AS TRANSDUCERS University of Georgia Research Foundation Inc. (US) 2017-04-26 EP claimed
US-20160073634-A1 BETA-LACTAMASE TARGETED PHOTOSENSITIZER FOR PESTICIDE AND PEST DETECTION NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2016-03-17 US claimed
WO-2015195889-A2 INDUCED PHOTODYNAMIC THERAPY USING NANOPARTICLE SCINTILLATORS AS TRANSDUCERS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2015-12-23 WO claimed
EP-2285381-B1 PHOTOACTIVATABLE BETA-LACTAMASE SUBSTRATES AND ANALYTICAL METHODS OF USING SAME GEN HOSPITAL CORP (US) 2015-12-16 EP claimed
WO-2006034219-A2 INACTIVATION OF MICROORGANISMS WITH MULTIDRUG RESISTANCE INHIBITORS AND PHENOTHIAZINIUMS THE GENERAL HOSPITAL CORPORATION (US) 2006-03-30 WO claimed
US-20040102383-A1 Growth inhibition and eradication of solid tumors using neuroendocrine resetting therapy and photodynamic therapy CINCOTTA ANTHONY H (US) 2004-05-27 US claimed
EP-0910365-B1 GROWTH INHIBITION AND ERADICATION OF SOLID TUMORS USING A PROLACTIN MODULATOR AND A PHOTOSENSITIZER GEN HOSPITAL CORP (US) 2003-06-25 EP claimed
US-20010049350-A1 GROWTH INHIBITION AND ERADICATION OF SOLID TUMORS USING NEUROENDOCRINE RESETTING THERAPY AND PHOTODYNAMIC THERAPY PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2001-12-06 US claimed
EP-0910365-A4 GROWTH INHIBITION AND ERADICATION OF SOLID TUMORS USING NEUROENDOCRINE RESETTING THERAPY AND PHOTODYNAMIC THERAPY ERGO RESEARCH CORP (US) 1999-12-01 EP claimed
US-5952329-A Benzophenothiazine and benzoporphyrin dye combination photodynamic therapy of tumors THE GENERAL HOSPITAL CORPORATION (US) 1999-09-14 US claimed
EP-0910365-A1 GROWTH INHIBITION AND ERADICATION OF SOLID TUMORS USING NEUROENDOCRINE RESETTING THERAPY AND PHOTODYNAMIC THERAPY Ergo Research Corporation (US) 1999-04-28 EP claimed
WO-1997040829-A9 GROWTH INHIBITION AND ERADICATION OF SOLID TUMORS USING NEUROENDOCRINE RESETTING THERAPY AND PHOTODYNAMIC THERAPY 1998-01-22 WO claimed
WO-1997040829-A1 GROWTH INHIBITION AND ERADICATION OF SOLID TUMORS USING NEUROENDOCRINE RESETTING THERAPY AND PHOTODYNAMIC THERAPY ERGO RESEARCH CORPORATION (US) 1997-11-06 WO claimed
WO-1997026885-A1 BENZOPHENOTHIAZINE AND BENZOPORPHYRIN DYE COMBINATION PHOTODYNAMIC THERAPY OF TUMORS THE GENERAL HOSPITAL CORPORATION DOING BUSINESS AS MASSACHUSETTS GENERAL HOSPITAL (US) 1997-07-31 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20160073634-A1 BETA-LACTAMASE TARGETED PHOTOSENSITIZER FOR PESTICIDE AND PEST DETECTION DDT, BCHE, GUSB GAA 21/4885EGFR 4419/4885MAPT 2213/4885
US-20180094292-A1 Photoactivatable Antimicrobial Agents And Therapeutic And Diagnostic Methods Of Using Same HMBS, GUSB, LCT GAA 4/4885EGFR 3420/4885MAPT 2958/4885

“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.