SCHEMBL443876

SCHEMBL443876

O=C(O)c1cccc(N(CCc2cccs2)Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.38
AGTR1 P30556 15/20 0.37
AGTR2 P50052 15/20 0.37
ADORA2A P29274 1/20 0.37
FNTA P49354 1/20 0.36
PGGT1B P53609 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
SCHEMBL443505 0.90 LPAR1 (0.45) LPAR1AGTR1AGTR2
SCHEMBL443676 0.86 LTB4R2 (0.42) LPAR1AGTR1AGTR2
SCHEMBL9590068 0.84 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL445920 0.83 PTPN1 (0.40) LPAR1AGTR1AGTR2
SCHEMBL444274 0.83 AGTR1 (0.42) LPAR1AGTR1AGTR2
SCHEMBL447385 0.83 LPAR1 (0.44) LPAR1AGTR1AGTR2
SCHEMBL443778 0.81 AGTR1 (0.39) LPAR1AGTR1AGTR2
SCHEMBL443615 0.81 TAS2R14 (0.44) LPAR1AGTR1AGTR2
SCHEMBL446830 0.79 LTB4R2 (0.53) LPAR1AGTR1
SCHEMBL443484 0.78 LTB4R2 (0.47) LPAR1AGTR1

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 LPAR1 2891/4885AGTR1 1990/4885AGTR2 2617/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 LPAR1 2891/4885AGTR1 1990/4885AGTR2 2617/4885

“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.