SCHEMBL418906

SCHEMBL418906

CN(C)c1ccc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLEC4M Q9H2X3 2/20 0.51
KDR P35968 2/20 0.49
ERO1A Q96HE7 1/20 0.48
PTGS2 P35354 6/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
PTGS1 P23219 2/20 0.47
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
THRB P10828 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
KAT8 Q9H7Z6 1/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL448122 1.00 CLEC4M (0.51) CLEC4MKDRERO1APTGS2MEN1
SCHEMBL11674142 0.74 MEN1 (0.61) PTGS2MEN1KMT2AALDH1A1MAPT
SCHEMBL6654602 0.74 ALDH1A1 (0.66) PTGS2MEN1KMT2AALDH1A1MAPT
SCHEMBL9875469 0.74 ALDH1A1 (0.66) PTGS2MEN1KMT2AALDH1A1MAPT
SCHEMBL11674150 0.74 ALDH1A1 (0.66) PTGS2MEN1KMT2AALDH1A1MAPT
SCHEMBL6654606 0.74 ALDH1A1 (0.66) PTGS2MEN1KMT2AALDH1A1MAPT
SCHEMBL13665954 0.73 MEN1 (0.50) ERO1AMEN1KMT2AALDH1A1MAPT
SCHEMBL11674137 0.73 ALDH1A1 (0.65) PTGS2MEN1KMT2AALDH1A1MAPT
Ammonia Solution, Strong SCHEMBL6656768 0.73 ALDH1A1 (0.65) PTGS2MEN1KMT2AALDH1A1MAPT
Ammonia Solution, Strong SCHEMBL6656769 0.73 ALDH1A1 (0.65) PTGS2MEN1KMT2AALDH1A1MAPT

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140335517-A1 DETECTION AND TREATMENT OF SCHIZOPHRENIA RENASCIENCE CO LTD (JP) 2014-11-13 US disclosed
US-20140335517-A1 DETECTION AND TREATMENT OF SCHIZOPHRENIA RENASCIENCE CO LTD (JP) 2014-11-13 US disclosed
US-8809329-B2 Detection and treatment of schizophrenia TOKYO METROPOLITAN INSTITUTE OF MEDICAL SCIENCE (JP) 2014-08-19 US disclosed
US-8809329-B2 Detection and treatment of schizophrenia TOKYO METROPOLITAN INSTITUTE OF MEDICAL SCIENCE (JP) 2014-08-19 US disclosed
US-20120065198-A2 Detection and Treatment of Schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2012-03-15 US disclosed
US-20120065198-A2 Detection and Treatment of Schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2012-03-15 US disclosed
US-20110028470-A1 Detection and Treatment of Schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2011-02-03 US disclosed
US-20110028470-A1 Detection and Treatment of Schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2011-02-03 US disclosed
US-7645882-B2 Inhibitor of protein modification products formation TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2010-01-12 US disclosed
US-7645882-B2 Inhibitor of protein modification products formation TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2010-01-12 US disclosed
US-7645882-B2 Inhibitor of protein modification products formation TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2010-01-12 US disclosed
US-20070123577-A1 Inhibitor of protein modification products formation TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2007-05-31 US disclosed
US-20070123577-A1 Inhibitor of protein modification products formation TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2007-05-31 US disclosed
US-20070123577-A1 Inhibitor of protein modification products formation TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2007-05-31 US disclosed
EP-1693369-A1 PROTEIN MODIFIER PRODUCTION INHIBITOR TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2006-08-23 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-20070123577-A1 Inhibitor of protein modification products formation SERPINB6, PROC, PLPBP CLEC4M 4427/4885KDR 4506/4885ERO1A 2315/4885
US-20110028470-A1 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 CLEC4M 2009/4885KDR 4819/4885ERO1A 2220/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 CLEC4M 2009/4885KDR 4819/4885ERO1A 2220/4885

“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.