Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4989762

Cl.O=C(O)C=Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.69

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
MAOB known ✓ P27338 7/20 0.66
BCHE known ✓ P06276 1/20 0.66
MAOA known ✓ P21397 5/20 0.58
CA2 known ✓ P00918 1/20 0.55
ESR1 known ✓ P03372 1/20 0.55
DPP4 known ✓ P27487 1/20 0.55
ESR2 known ✓ Q92731 1/20 0.55
PTGS1 known ✓ P23219 1/20 0.54
PTGS2 known ✓ P35354 1/20 0.54
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
CYP1B1 Q16678 1/20 0.61
APP P05067 1/20 0.58
FBP1 P09467 1/20 0.56
RHOA P61586 1/20 0.56
POLB P06746 2/20 0.55
HSPD1 P10809 1/20 0.55
HSPE1 P61604 1/20 0.55
MAPT P10636 1/20 0.55
CA12 O43570 1/20 0.55

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
SCHEMBL277169 0.98 MEN1 (0.71) MEN1KMT2AMAOBBCHECYP1B1
SCHEMBL42325 0.98 MEN1 (0.71) MEN1KMT2AMAOBBCHECYP1B1
SCHEMBL29077145 0.96 MEN1 (0.69) MEN1KMT2AMAOBBCHECYP1B1
Benzene SCHEMBL6915910 0.96 MAOB (0.71) MEN1KMT2AMAOBBCHECYP1B1
SCHEMBL27867390 0.96 MEN1 (0.69) MEN1KMT2AMAOBBCHECYP1B1
SCHEMBL27883557 0.96 MEN1 (0.69) MEN1KMT2AMAOBBCHECYP1B1
SCHEMBL11836067 0.93 MEN1 (0.65) MEN1KMT2AMAOBBCHECYP1B1
SCHEMBL11836065 0.93 MEN1 (0.65) MEN1KMT2AMAOBBCHECYP1B1
SCHEMBL17457069 0.90 MAOB (0.63) MEN1KMT2AMAOBBCHECYP1B1
Alcohol SCHEMBL8131569 0.90 MEN1 (0.66) MEN1KMT2AMAOBBCHECYP1B1

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
CN-101845025-B Preparation method of 3-alpha,beta-unsaturated acyl-1,3-oxazolidine-2-ketone UNIV HARBIN SCIENCE & TECH 2012-04-25 CN claimed
CN-101845025-A Preparation method of 3-alpha,beta-unsaturated acyl-1,3-oxazolidine-2-ketone UNIV HARBIN SCIENCE & TECH 2010-09-29 CN claimed
CN-118697737-A Application of piperlonguminine analogue compound in preparation of medicines for treating cervical cancer and/or liver cancer 赣南医学院第一附属医院 2024-09-27 CN disclosed
CN-111153898-B Thiourea derivative and preparation method and application thereof 南华大学 2022-11-11 CN disclosed
CN-111153898-A Thiourea derivative and preparation method and application thereof 南华大学 2020-05-15 CN disclosed
US-8192717-B2 Flavone derivative, chalcone derivative, styrylchromone derivative, or a coumarin derivative with high binding specificity to an amyloid beta protein, high permeability to a blood-brain barrier, and ability to rapidly disappear from sites other than cerebral senile plaque; also drug screening NAGASAKI UNIVERSITY (JP) 2012-06-05 US disclosed
CN-101845025-B Preparation method of 3-alpha,beta-unsaturated acyl-1,3-oxazolidine-2-ketone UNIV HARBIN SCIENCE & TECH 2012-04-25 CN disclosed
CN-101845025-A Preparation method of 3-alpha,beta-unsaturated acyl-1,3-oxazolidine-2-ketone UNIV HARBIN SCIENCE & TECH 2010-09-29 CN disclosed
US-20080131367-A1 Composition For Diagnosing Amyloid-Related Diseases Mori, Hiroshi (JP) 2008-06-05 US disclosed
EP-1815872-A1 COMPOSITION FOR AMYLOID-ASSOCIATED DISEASE DIAGNOSIS Nagasaki University (JP) 2007-08-08 EP disclosed
US-20030036532-A1 Use of 2-phenylene diamine derivatives for the treatment of infections JOMAA PHARMAKA GMBH (DE) 2003-02-20 US disclosed
US-6093518-A Visible laser-curable composition KANSAI PAINT CO., LTD. (JP) 2000-07-25 US disclosed
US-5939148-A Visible laser-curable composition KANSAI PAINT CO., LTD. (JP) 1999-08-17 US disclosed
US-5241102-A Schiff base compounds RICOH COMPANY, LTD. (JP) 1993-08-31 US disclosed
US-RE28806-E Liquid crystal compositions XEROX CORPORATION (US) 1976-05-11 US disclosed
US-3931041-A LIQUID CRYSTAL COMPOSITIONS XEROX CORPORATION (US) 1976-01-06 US 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 (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-20030036532-A1 Use of 2-phenylene diamine derivatives for the treatment of infections HRH2, ASPH, NQO2 MAOB 113/4885BCHE 788/4885MAOA 184/4885
US-20080131367-A1 Composition For Diagnosing Amyloid-Related Diseases APP, APBA1, FABP7 MAOB 2191/4885BCHE 32/4885MAOA 2873/4885

“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.