SCHEMBL446371

SCHEMBL446371

O=C1NC(=O)C(c2ccc(CN(c3cccc(C(=O)O)c3)S(=O)(=O)c3ccc(-c4ccccc4)cc3)cc2)S1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.53
PTGES O14684 7/20 0.53
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
MCL1 Q07820 1/20 0.48
PTPN22 Q9Y2R2 8/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PTPN1 P18031 2/20 0.45
PTPN12 Q05209 2/20 0.45

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
SCHEMBL444342 0.94 LMNA (0.57) ALOX5PTGESALDH1A1LMNAMEN1
SCHEMBL445377 0.91 PTGES (0.51) ALOX5PTGESALDH1A1LMNAMCL1
SCHEMBL448085 0.90 ALDH1A1 (0.52) ALOX5PTGESALDH1A1LMNAMCL1
SCHEMBL446066 0.87 PTGES (0.42) ALOX5PTGESALDH1A1LMNAPTPN22
SCHEMBL444612 0.86 CA2 (0.46) ALOX5PTGESALDH1A1LMNAKMT2A
SCHEMBL447265 0.85 ALDH1A1 (0.43) ALDH1A1LMNAMEN1KMT2A
SCHEMBL446213 0.84 ALDH1A1 (0.46) ALDH1A1LMNAMEN1KMT2APTPN1
SCHEMBL445234 0.83 PTGES (0.48) ALOX5PTGESMEN1KMT2A
SCHEMBL443448 0.80 GRM2 (0.40) ALDH1A1LMNAMEN1KMT2A
SCHEMBL444121 0.79 MCL1 (0.49) ALOX5PTGESALDH1A1LMNAMCL1

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 6 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

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-20110028470-A1 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 ALOX5 359/4885PTGES 514/4885ALDH1A1 240/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 ALOX5 359/4885PTGES 514/4885ALDH1A1 240/4885

“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.