SCHEMBL1593331

SCHEMBL1593331

O=C(CCl)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.67
ALDH1A1 P00352 2/20 0.67
TRPA1 O75762 1/20 0.67
MAPK1 P28482 1/20 0.67
HIF1A Q16665 1/20 0.67
ERCC5 P28715 2/20 0.64
FEN1 P39748 2/20 0.64
MMP1 P03956 1/20 0.58
PARP10 Q53GL7 1/20 0.58
RNF4 P78317 1/20 0.57
SRD5A2 P31213 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.51
POLB P06746 2/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MMP2 P08253 1/20 0.50
CA9 Q16790 1/20 0.50
NPC1 O15118 1/20 0.50
HSP90AA1 P07900 1/20 0.50

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
Clofenoxyde SCHEMBL882741 0.92 GSK3B (0.61) GSK3BALDH1A1TRPA1MAPK1HIF1A
SCHEMBL883109 0.86 TNKS (0.58) GSK3BALDH1A1TRPA1MAPK1HIF1A
SCHEMBL8546428 0.85 PKM (0.68) GSK3BALDH1A1TRPA1MAPK1HIF1A
SCHEMBL1594429 0.85 MMP1 (0.64) ERCC5FEN1MMP1PARP10RNF4
SCHEMBL15756687 0.85 GSK3B (0.77) GSK3BALDH1A1TRPA1MAPK1HIF1A
SCHEMBL9814634 0.84 MMP1 (0.77) HIF1AERCC5FEN1MMP1PARP10
SCHEMBL8548986 0.84 ERCC5 (0.67) GSK3BALDH1A1TRPA1MAPK1HIF1A
SCHEMBL8341053 0.82 ERCC5 (0.66) ERCC5FEN1MMP1PARP10SRD5A2
SCHEMBL28547033 0.82 ERCC5 (0.66) ERCC5FEN1MMP1PARP10SRD5A2
SCHEMBL5661734 0.82 MMP1 (0.60) ERCC5FEN1MMP1PARP10SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3116858-B1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC (JP) 2020-11-11 EP disclosed
US-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2017-01-05 US disclosed
US-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2017-01-05 US disclosed
US-20140323501-A1 AMINO-PROPYLENE-GLYCOL DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION AND USE THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2014-10-30 US disclosed
US-20140323501-A1 AMINO-PROPYLENE-GLYCOL DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION AND USE THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2014-10-30 US disclosed
US-20140323501-A1 AMINO-PROPYLENE-GLYCOL DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION AND USE THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2014-10-30 US disclosed
EP-2786982-A1 AMINO-PROPYLENE-GLYCOL DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION AND USE THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2014-10-08 EP disclosed
EP-2786982-A1 AMINO-PROPYLENE-GLYCOL DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION AND USE THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2014-10-08 EP disclosed
WO-2013004190-A1 AMINO-PROPYLENE-GLYCOL DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 中国医学科学院药物研究所 (CN) 2013-01-10 WO disclosed
US-8217001-B2 Modification of feeding behavior IMPERIAL INNOVATIONS LIMITED 2012-07-10 US disclosed
WO-2003027637-A2 ASSESSMENT OF NEURONS IN THE ARCUATE NUCLEUS TO SCREEN FOR AGENTS THAT MODIFY FEEDING BEHAVIOR OREGON HEALTH AND SCIENCE UNIVERSITY (US) 2003-04-03 WO disclosed
EP-1206262-A4 NPY ANTAGONISTS: SPIROISOQUINOLINONE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2003-01-02 EP disclosed
EP-1206262-A1 NPY ANTAGONISTS: SPIROISOQUINOLINONE DERIVATIVES Bristol-Myers Squibb Company (US) 2002-05-22 EP disclosed
US-6348472-B1 ANOREXIGENIC AGENTS AND EATING DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2002-02-19 US disclosed
WO-2001013917-A1 NPY ANTAGONISTS: SPIROISOQUINOLINONE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-03-01 WO disclosed
EP-0177463-B1 DERIVATIVES OF 2-AMINO-THIAZOLE HAVING AN ACID SECRETION INHIBITING ACTIVITY Medosan Industrie Biochimiche Riunite S.p.A. (IT) 1990-12-12 EP disclosed
US-4705873-A Derivatives of 2-amino-thiazole having an acid secretion inhibiting activity MEDOSAN INDUSTRIE BIOCHIMICHE RIUNITE S.P.A. (IT) 1987-11-10 US disclosed
US-4652575-A 2-(ethylene-thio methyl furanyl)amino thiazole derivatives having acid secretion inhibiting activity MEDOSAN INDUSTRIE BIOCHIMICHE RIUNITE S.P.A. (IT) 1987-03-24 US disclosed
EP-0177463-A2 Derivatives of 2-amino-thiazole having an acid secretion inhibiting activity Medosan Industrie Biochimiche Riunite S.p.A. (IT) 1986-04-09 EP disclosed
EP-0020970-A1 Alpha-chloroacetophenonoxime ethers and process for their preparation BASF Aktiengesellschaft (DE) 1981-01-07 EP 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-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS TRPM8, TRPM7, TRPM5 GSK3B 2725/4885ALDH1A1 2024/4885TRPA1 14/4885
US-20140323501-A1 AMINO-PROPYLENE-GLYCOL DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION AND USE THEREOF AADAT, HPGDS, HLA-DRB1 GSK3B 4219/4885ALDH1A1 2654/4885TRPA1 4549/4885

“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.