SCHEMBL446224

SCHEMBL446224

O=C1NC(=O)C(c2ccc(CN(C(=O)c3cccnc3)c3cccc(C(=O)O)c3)cc2)S1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.40
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
CA2 P00918 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.37
STAT3 P40763 2/20 0.37
HSD17B10 Q99714 1/20 0.36
KMO O15229 1/20 0.36
APP P05067 1/20 0.36
HCAR3 P49019 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GRM2 Q14416 1/20 0.35
PRKAG1 P54619 1/20 0.35

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 0.86 PTGES (0.48) CA2LTB4R2STAT3NPC1RAB9A
SCHEMBL444303 0.84 CFTR (0.49) GAATSHRCA2LTB4R2STAT3
SCHEMBL446828 0.84 LTB4R2 (0.43) GAATSHRKDM4ECA2LTB4R2
SCHEMBL443664 0.80 CA2 (0.35) CA2LTB4R2STAT3NPC1RAB9A
SCHEMBL443207 0.80 HDAC1 (0.41) LTB4R2HDAC6NPC1RAB9AKMT2A
SCHEMBL446132 0.80 LTB4R2 (0.45) HTTPTGDR2ALDH1A1CA2LTB4R2
SCHEMBL446471 0.79 LTB4R2 (0.58) PTGDR2LTB4R2
SCHEMBL446660 0.79 NR1H4 (0.45) STAT3
SCHEMBL445112 0.78 CA2 (0.41) ALDH1A1CA2LTB4R2STAT3NPC1
SCHEMBL444612 0.77 CA2 (0.46) ALDH1A1CA2LTB4R2KMOKMT2A

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 GAA 833/4885TSHR 3502/4885HTT 4080/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 GAA 833/4885TSHR 3502/4885HTT 4080/4885

“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.