SCHEMBL447808

SCHEMBL447808

NC(=O)c1cccc(N(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C(=O)c2ccc(-c3ccccn3)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 2/20 0.44
CHEK2 O96017 2/20 0.41
AGTR1 P30556 4/20 0.38
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
AGTR2 P50052 1/20 0.37
TSHR P16473 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
SCHEMBL460057 0.93 LTB4R2 (0.49) LTB4R2AGTR1TSHR
SCHEMBL443861 0.86 ABL1 (0.47) LTB4R2ABL1BCR
SCHEMBL447525 0.85 CFTR (0.43) LTB4R2CHEK2AGTR1
SCHEMBL446089 0.84 LTB4R2 (0.52) LTB4R2AGTR1
SCHEMBL446674 0.79 PTGES (0.48) LTB4R2
SCHEMBL448210 0.79 GAA (0.53) LTB4R2AGTR1AGTR2TSHR
SCHEMBL444348 0.77 CFTR (0.46) LTB4R2AGTR1
SCHEMBL443638 0.77 LTB4R2 (0.53) LTB4R2AGTR1
SCHEMBL446830 0.76 LTB4R2 (0.53) LTB4R2AGTR1
SCHEMBL446107 0.76 LTB4R2 (0.44) LTB4R2AGTR1

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 1275/4885CHEK2 4755/4885AGTR1 1990/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 LTB4R2 1275/4885CHEK2 4755/4885AGTR1 1990/4885

“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.