SCHEMBL445807

SCHEMBL445807

COC(=O)c1cccc(-c2ccc(C(=C3C(=O)NN=C3C)c3ccc(S(N)(=O)=O)cc3)o2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.53
CA1 P00915 9/20 0.53
CA9 Q16790 8/20 0.53
CA12 O43570 6/20 0.53
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
CA14 Q9ULX7 4/20 0.43
PIK3CG P48736 1/20 0.42
CA4 P22748 4/20 0.42
MAOB P27338 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
PRMT1 Q99873 1/20 0.38
CLEC4M Q9H2X3 1/20 0.38

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
SCHEMBL5189038 0.71 CDK2 (0.48) CA2CA1CA9CA12ALDH1A1
SCHEMBL5188402 0.70 CDK2 (0.48) CA2CA1CA9CA12ALDH1A1
SCHEMBL12900113 0.70 CLEC4M (0.65) ALDH1A1POLBMAPTKMT2ASAE1
SCHEMBL445808 0.70 CLEC4M (0.65) ALDH1A1POLBMAPTKMT2ASAE1
SCHEMBL445806 0.70 CLEC4M (0.65) ALDH1A1POLBMAPTKMT2ASAE1
SCHEMBL3758734 0.70 CDK2 (0.47) CA2CA1CA9CA12ALDH1A1
SCHEMBL5143187 0.70 CDK2 (0.47) CA2CA1CA9CA12ALDH1A1
SCHEMBL699963 0.69 ALDH1A1 (0.54) CA2CA1CA9CA12ALDH1A1
SCHEMBL13269280 0.69 NR4A1 (0.60) CA2CA1CA9CA12ALDH1A1
SCHEMBL3056404 0.68 ALDH1A1 (0.53) CA2CA1CA9CA12ALDH1A1

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 9 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-8809329-B2 Detection and treatment of schizophrenia TOKYO METROPOLITAN INSTITUTE OF MEDICAL SCIENCE (JP) 2014-08-19 US disclosed
EP-2662453-A2 Detection and treatment of schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2013-11-13 EP 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
EP-2189537-A1 DETECTION AND TREATMENT OF SCHIZOPHRENIA TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2010-05-26 EP 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
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 CA2 2314/4885CA1 2422/4885CA9 3778/4885
US-20110028470-A1 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 CA2 2650/4885CA1 1486/4885CA9 2233/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 CA2 2650/4885CA1 1486/4885CA9 2233/4885

“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.