SCHEMBL448210

SCHEMBL448210

O=C(O)c1cccc(N(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C(=O)c2cccnc2)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.53
LTB4R2 Q9NPC1 4/20 0.46
AGTR1 P30556 2/20 0.42
HTT P42858 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
AGTR2 P50052 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
SCHEMBL446089 0.89 LTB4R2 (0.52) LTB4R2AGTR1PTGDR2
SCHEMBL460057 0.86 LTB4R2 (0.49) TSHRLTB4R2AGTR1
SCHEMBL446674 0.86 PTGES (0.48) LTB4R2PTGDR2
SCHEMBL443638 0.86 LTB4R2 (0.53) LTB4R2AGTR1PTGDR2
SCHEMBL444348 0.86 CFTR (0.46) LTB4R2AGTR1
SCHEMBL446830 0.86 LTB4R2 (0.53) LTB4R2AGTR1PTGDR2
SCHEMBL446384 0.84 LTB4R2 (0.53) LTB4R2AGTR1PTGDR2
SCHEMBL443392 0.82 LTB4R2 (0.55) LTB4R2AGTR1PTGDR2
SCHEMBL443484 0.82 LTB4R2 (0.47) LTB4R2AGTR1PTGDR2
SCHEMBL443676 0.82 LTB4R2 (0.42) LTB4R2AGTR1AGTR2

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 3502/4885LTB4R2 1275/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 GAA 833/4885TSHR 3502/4885LTB4R2 1275/4885

“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.