SCHEMBL445234

SCHEMBL445234

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGES O14684 6/20 0.48
ALOX5 P09917 6/20 0.48
LTB4R2 Q9NPC1 4/20 0.46
LTC4S Q16873 1/20 0.45
CA2 P00918 1/20 0.43
STAT3 P40763 3/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 3/20 0.40
MEP1B Q16820 1/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL446828 0.90 LTB4R2 (0.43) PTGESALOX5LTB4R2LTC4SCA2
SCHEMBL444612 0.89 CA2 (0.46) PTGESALOX5LTB4R2CA2KMT2A
SCHEMBL446224 0.86 GAA (0.53) LTB4R2CA2STAT3NPC1RAB9A
SCHEMBL443207 0.86 HDAC1 (0.41) PTGESALOX5LTB4R2NPC1RAB9A
SCHEMBL444303 0.85 CFTR (0.49) PTGESALOX5LTB4R2CA2STAT3
SCHEMBL446132 0.84 LTB4R2 (0.45) LTB4R2CA2STAT3NPC1RAB9A
SCHEMBL446371 0.83 ALOX5 (0.53) PTGESALOX5KMT2AMEN1
SCHEMBL445112 0.82 CA2 (0.41) PTGESALOX5LTB4R2CA2STAT3
SCHEMBL446471 0.81 LTB4R2 (0.58) LTB4R2
SCHEMBL446660 0.81 NR1H4 (0.45) STAT3

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 PTGES 514/4885ALOX5 359/4885LTB4R2 1275/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 PTGES 514/4885ALOX5 359/4885LTB4R2 1275/4885

“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.