SCHEMBL446828

SCHEMBL446828

O=C1NC(=O)C(c2ccc(CN(C(=O)c3ccc(-c4ccccn4)cc3)c3cccc(C(=O)O)c3)cc2)S1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 2/20 0.43
TSHR P16473 2/20 0.40
PTGES O14684 6/20 0.40
ALOX5 P09917 6/20 0.40
LTC4S Q16873 1/20 0.39
CA2 P00918 1/20 0.38
STAT3 P40763 2/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
KCNH2 Q12809 1/20 0.38
MCHR1 Q99705 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.36
KDM6B O15054 1/20 0.36
KDM4A O75164 1/20 0.36
KDM5C P41229 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM2A Q9Y2K7 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 0.90 PTGES (0.48) LTB4R2PTGESALOX5LTC4SCA2
SCHEMBL446224 0.84 GAA (0.53) LTB4R2TSHRCA2STAT3NPC1
SCHEMBL444303 0.83 CFTR (0.49) LTB4R2TSHRPTGESALOX5CA2
SCHEMBL443207 0.82 HDAC1 (0.41) LTB4R2PTGESALOX5NPC1RAB9A
SCHEMBL446132 0.79 LTB4R2 (0.45) LTB4R2CA2STAT3NPC1RAB9A
SCHEMBL443664 0.77 CA2 (0.35) LTB4R2PTGESALOX5CA2STAT3
SCHEMBL445112 0.77 CA2 (0.41) LTB4R2PTGESALOX5CA2STAT3
SCHEMBL446471 0.76 LTB4R2 (0.58) LTB4R2
SCHEMBL446660 0.76 NR1H4 (0.45) STAT3
SCHEMBL460057 0.76 LTB4R2 (0.49) LTB4R2TSHRPTGESALOX5LTC4S

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 LTB4R2 1275/4885TSHR 3502/4885PTGES 514/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 LTB4R2 1275/4885TSHR 3502/4885PTGES 514/4885

“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.