SCHEMBL444348

SCHEMBL444348

O=C(O)c1cccc(N(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C(=O)c2cnc3ccccc3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.44
TRPM8 Q7Z2W7 7/20 0.43
GABRA1 P14867 1/20 0.42
MGAM O43451 1/20 0.40
PTGES O14684 2/20 0.38
ALOX5 P09917 2/20 0.38
AGTR1 P30556 1/20 0.38

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
SCHEMBL447525 0.93 CFTR (0.43) CFTRLTB4R2TRPM8GABRA1AGTR1
SCHEMBL446674 0.89 PTGES (0.48) LTB4R2PTGESALOX5
SCHEMBL446089 0.87 LTB4R2 (0.52) LTB4R2PTGESALOX5AGTR1
SCHEMBL445378 0.87 MKNK1 (0.39) CFTR
SCHEMBL448210 0.86 GAA (0.53) LTB4R2AGTR1
SCHEMBL460057 0.84 LTB4R2 (0.49) LTB4R2PTGESALOX5AGTR1
SCHEMBL443638 0.84 LTB4R2 (0.53) LTB4R2AGTR1
SCHEMBL446830 0.83 LTB4R2 (0.53) LTB4R2AGTR1
SCHEMBL446107 0.83 LTB4R2 (0.44) LTB4R2PTGESALOX5AGTR1
SCHEMBL446384 0.82 LTB4R2 (0.53) 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 CFTR 4704/4885LTB4R2 1275/4885TRPM8 3479/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 CFTR 4704/4885LTB4R2 1275/4885TRPM8 3479/4885

“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.