SCHEMBL426162

SCHEMBL426162

O=S(=O)(CCCl)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
CYP3A4 P08684 2/20 0.52
MAPK1 P28482 1/20 0.52
NPC1 O15118 1/20 0.52
KMT2A Q03164 5/20 0.49
MEN1 O00255 2/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA13 Q8N1Q1 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
HSD11B1 P28845 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL7413114 0.87 ALDH1A1 (0.50) ALDH1A1CYP3A4MAPK1NPC1KMT2A
SCHEMBL10568403 0.85 ALDH1A1 (0.48) ALDH1A1CYP3A4MAPK1NPC1KMT2A
SCHEMBL2914219 0.81 ALDH1A1 (0.56) ALDH1A1CYP3A4MAPK1NPC1KMT2A
SCHEMBL7009075 0.81 F10 (0.46) ALDH1A1
SCHEMBL3514586 0.80 PLCG1 (0.61) ALDH1A1CYP3A4KMT2ACA12CA1
SCHEMBL11658315 0.80 ALDH1A1 (0.50) ALDH1A1CYP3A4MAPK1NPC1KMT2A
SCHEMBL5664200 0.80 CA2 (0.64) ALDH1A1CYP3A4MAPK1NPC1KMT2A
SCHEMBL1149166 0.80 ALDH1A1 (0.69) ALDH1A1CYP3A4NPC1KMT2AMEN1
SCHEMBL6353755 0.80 GAA (0.57) ALDH1A1CYP3A4KMT2AMEN1CA12
SCHEMBL5974400 0.80 CA2 (0.53) ALDH1A1CYP3A4MAPK1KMT2ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835461-B2 Substituted 3-hydroxy-4-pyridone derivative SHIONOGI & CO., LTD. (JP) 2014-09-16 US disclosed
WO-2014086453-A1 AZAHETEROBICYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2014-06-12 WO disclosed
EP-2412708-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE Shionogi&Co., Ltd. (JP) 2012-02-01 EP disclosed
US-20120022255-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2012-01-26 US disclosed
US-20110281909-A1 SUBSTITUTED QUINOLINE DERIVATIVES AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-11-17 US disclosed
EP-2215082-B1 PHTHALAZINE AND PYRIDO[3,4-D]PYRIDAZINE COMPOUNDS AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2011-09-21 EP disclosed
US-7884114-B2 N-(4-{4-[(6-butyl-8-quinolinyl)oxy]-1-piperidinyl}butyl)ethanesulfonamide for treatment of allergic rhinitis GLAXO GROUP LIMITED (GB) 2011-02-08 US disclosed
CN-101007794-B N,N'-disubstituted piperazine derivative, and its preparation method and medicinal composition and uses SHANGHAI INST MATERIA MEDICA 2010-09-01 CN disclosed
US-20100216799-A1 PHTHALAZINE AND PYRIDO[3,4-D]PYRIDAZINE COMPOUNDS AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-08-26 US disclosed
EP-2215082-A1 PHTHALAZINE AND PYRIDO Ý3,4-D¨PYRIDAZ INE COMPOUNDS AS H1 RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2010-08-11 EP disclosed
EP-0182299-B1 A CURABLE FLUOROELASTOMER COMPOSITION Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1991-04-03 EP disclosed
US-4895840-A ANTIARRHYTHMIA AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1990-01-23 US disclosed
EP-0295010-A1 Derivatives of alkylaminoalkyl ureas and cyanoguanidines A.H. ROBINS COMPANY, INCORPORATED (US) 1988-12-14 EP disclosed
US-4748208-A FLUOROPOLYMER, BIS/PHOSPHINE/IMINIUM HALIDE, POLYHYDROXY CURING AGENT ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1988-05-31 US disclosed
US-4724235-A N-(arylthioalkyl)-N'-(aminoalkyl)ureas useful in the treatment of arrhythmia A. H. ROBINS COMPANY, INCORPORATED (US) 1988-02-09 US disclosed
EP-0235463-A2 N-substituted-arylalkyl and arylalkylene piperidines as cardiovascular antihistaminic and antisecretory agents A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1987-09-09 EP disclosed
US-4597902-A TREATMENT OF CARDIAC ARRHYTHMIAS A. H. ROBINS COMPANY, INCORPORATED (US) 1986-07-01 US disclosed
EP-0182299-A2 A curable fluoroelastomer composition Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1986-05-28 EP disclosed
EP-0066415-B1 N-(ARYLTHIOALKYL)-N'-(AMINOALKYL)UREAS A.H. ROBINS COMPANY, INCORPORATED (US) 1985-10-02 EP disclosed
EP-0066415-A2 N-(arylthioalkyl)-N'-(aminoalkyl)ureas A.H. ROBINS COMPANY, INCORPORATED (US) 1982-12-08 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 (3 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-20100216799-A1 PHTHALAZINE AND PYRIDO[3,4-D]PYRIDAZINE COMPOUNDS AS H1 RECEPTOR ANTAGONISTS HRH4, HRH2, HRH1 ALDH1A1 1732/4885CYP3A4 667/4885MAPK1 1796/4885
US-20120022255-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE ENDOD1, CNBP, DPP4 ALDH1A1 1167/4885CYP3A4 154/4885MAPK1 3797/4885
US-20110281909-A1 SUBSTITUTED QUINOLINE DERIVATIVES AS H1 RECEPTOR ANTAGONISTS HRH1, HRH2, HRH4 ALDH1A1 972/4885CYP3A4 668/4885MAPK1 1437/4885

“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.