SCHEMBL444612

SCHEMBL444612

O=C1NC(=O)C(c2ccc(CN(Cc3ccc(-c4ccccc4)cc3)c3cccc(C(=O)O)c3)cc2)S1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.46
LTB4R2 Q9NPC1 2/20 0.43
PTPN1 P18031 2/20 0.42
MEP1B Q16820 1/20 0.41
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
PPARD Q03181 2/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
PTGES O14684 2/20 0.37
ALOX5 P09917 2/20 0.37
CETP P11597 1/20 0.37
FFAR1 O14842 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMO O15229 1/20 0.36

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
SCHEMBL445234 0.89 PTGES (0.48) CA2LTB4R2MEP1BPTGESALOX5
SCHEMBL446371 0.86 ALOX5 (0.53) PTPN1ALDH1A1LMNAPTGESALOX5
SCHEMBL443421 0.84 LTB4R2 (0.41) CA2LTB4R2PTPN1PPARGPPARA
SCHEMBL447670 0.82 PPARG (0.38) CA2PTPN1PPARGKMO
SCHEMBL444342 0.81 LMNA (0.57) CA2ALDH1A1LMNAPTGESALOX5
SCHEMBL447265 0.81 ALDH1A1 (0.43) CA2ALDH1A1LMNAKMT2A
SCHEMBL446213 0.81 ALDH1A1 (0.46) CA2PTPN1MEP1BPPARGPPARA
SCHEMBL446132 0.81 LTB4R2 (0.45) CA2LTB4R2PPARGPPARAPPARD
SCHEMBL445112 0.79 CA2 (0.41) CA2LTB4R2PTPN1PPARGPPARA
SCHEMBL446471 0.78 LTB4R2 (0.58) LTB4R2

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 CA2 2650/4885LTB4R2 1275/4885PTPN1 3372/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 CA2 2650/4885LTB4R2 1275/4885PTPN1 3372/4885

“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.