SCHEMBL436327

SCHEMBL436327

Clc1ccc(-c2[c]cccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
NOTUM Q6P988 2/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
CASP3 P42574 1/20 0.37
KMT2A Q03164 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL7812292 0.92 CYP1A2 (0.46) CYP1A2NOTUMTSHRKDM4ENPC1
SCHEMBL769959 0.81 ALDH1A1 (0.45) CYP1A2NOTUMALDH1A1MAPTSMN1; SMN2
SCHEMBL769634 0.81 ALDH1A1 (0.45) CYP1A2NOTUMALDH1A1MAPTSMN1; SMN2
SCHEMBL25097 0.81 ALDH1A1 (0.45) CYP1A2NOTUMALDH1A1MAPTSMN1; SMN2
SCHEMBL8590691 0.81 CYP2A6 (0.50) CYP1A2KDM4ENPC1RAB9AALDH1A1
SCHEMBL183516 0.80 ALDH1A1 (0.35) RAB9AALDH1A1MEN1KMT2A
SCHEMBL41140 0.80 ALDH1A1 (0.42) CYP1A2NOTUMNPC1RAB9AALDH1A1
SCHEMBL38202 0.80 ALDH1A1 (0.42) CYP1A2NOTUMNPC1RAB9AALDH1A1
SCHEMBL7180814 0.80 TSHR (0.35) CYP1A2TSHRSMN1; SMN2
SCHEMBL8588843 0.79 CYP2A6 (0.48) CYP1A2KDM4ENPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116891466-A Pyrazole-containing dithiazole carboxamide derivative and preparation method and application thereof 南开大学 2023-10-17 CN claimed
WO-2018136792-A1 INHIBITORS OF THE N-TERMINAL DOMAIN OF THE ANDROGEN RECEPTOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-07-26 WO claimed
CN-104114169-A Combination of CRTH2 antagonist and a proton pump inhibitor for the treatment of eosinophilic esophagitis ATOPIX THERAPEUTICS LTD 2014-10-22 CN claimed
EP-2513064-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING BIOFILMS Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-10-24 EP claimed
CN-102264734-A Alkaloid aminoester derivatives and medicinal composition thereof 2011-11-30 CN claimed
WO-2011080132-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING BIOFILMS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2011-07-07 WO claimed
US-7923465-B2 CB2 agonists; pain, neurodegenative disorders, eating disorders, weight loss or control, obesity, dyslipidemia, drug abuse, vision defect, neurodegenerative diseases; 5-(2,4-difluorophenyl)-4,5-diazatricyclo[5.2.1.0.sup.2,6.]deca-2-(6),3-dien-3-yl-phenylmethanone; antiinflammatory agent, antidepressant GLENMARK PHARMACEUTICALS S.A. (CH) 2011-04-12 US claimed
EP-1902034-B1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS SA (CH) 2011-03-30 EP claimed
EP-1978967-B1 QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2010-09-22 EP claimed
US-20080234259-A1 Novel Cannabinoid Receptor Ligands, Pharmaceutical Compositions Containing Them, and Process For Their Preparation GLENMARK PHARMACEUTICALS S.A. (CH) 2008-09-25 US claimed
US-6610871-B1 Reacting with an organozinc compound; chemoselective for Sn2' substitution and/or stereoselective. AVECIA LIMITED (GB) 2003-08-26 US claimed
WO-2003022842-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-20 WO claimed
EP-0895988-B1 Arylsulfonylamino hydroxamic acid derivatives PFIZER PROD INC (US) 2002-05-22 EP claimed
EP-1173405-A4 SYNTHESIS OF N4, N4' -DIPHENYL-N4, N4' -DI-M-TOLYL-BIPHENYL-4,4'-DIAMINE FROM AN UNSYMMETRICAL AMINE BOULDER SCIENT CO (US) 2002-04-17 EP claimed
EP-1173405-A1 SYNTHESIS OF N4, N4' -DIPHENYL-N4, N4' -DI-M-TOLYL-BIPHENYL-4,4'-DIAMINE FROM AN UNSYMMETRICAL AMINE BOULDER SCIENTIFIC COMPANY (US) 2002-01-23 EP claimed
WO-2001055087-A1 SYNTHESIS OF N4, N4'-DIPHENYL-N4, N4'-DI-M-TOLYL-BIPHENYL-4,4'-DIAMINE FROM AN UNSYMMETRICAL AMINE BOULDER SCIENTIFIC COMPANY (US) 2001-08-02 WO claimed
US-6107337-A ANTIARTHRITIC AGENTS; ANTICARCINOGENIC AGENTS PFIZER INC. (US) 2000-08-22 US claimed
EP-0895988-A1 Arylsulfonylamino hydroxamic acid derivatives Pfizer Products Inc. (US) 1999-02-10 EP claimed
EP-0414299-B1 Biocidal azoxime compounds SHELL INT RESEARCH (NL) 1994-06-15 EP claimed
EP-0101023-A1 Process for preparing 2-carbamoyloxyalkyl-1,4-dihydropyridine derivatives and intermediates useful for the process BANYU PHARMACEUTICAL CO., LTD. (JP) 1984-02-22 EP 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 (1 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-20080234259-A1 Novel Cannabinoid Receptor Ligands, Pharmaceutical Compositions Containing Them, and Process For Their Preparation CNR2, CNR1, OPRL1 CYP1A2 3079/4885NOTUM 2282/4885TSHR 1819/4885

“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.