SCHEMBL448588

SCHEMBL448588

O=C(O)c1cccc(N(Cc2ccccc2)Cc2ccccc2-c2ccccc2-c2nnn[nH]2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.44
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HCAR3 P49019 2/20 0.37
KMT2A Q03164 5/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGER1 P34995 1/20 0.36
MEN1 O00255 3/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
MEP1B Q16820 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.34
PPARA Q07869 1/20 0.34
ALOX5 P09917 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL443676 0.86 LTB4R2 (0.42) PTPN1MEP1BLTB4R2
SCHEMBL444274 0.83 AGTR1 (0.42) PTPN1KMT2APTGER1MEN1MEP1B
SCHEMBL443505 0.83 LPAR1 (0.45) PTPN1
SCHEMBL445920 0.82 PTPN1 (0.40) PTPN1MEP1BLTB4R2
SCHEMBL9590068 0.79 AGTR1 (0.53)
SCHEMBL443615 0.79 TAS2R14 (0.44) ALDH1A1KMT2AL3MBTL1MEN1MEP1B
SCHEMBL443778 0.78 AGTR1 (0.39) LTB4R2
SCHEMBL443484 0.78 LTB4R2 (0.47) LTB4R2
SCHEMBL443638 0.77 LTB4R2 (0.53) LTB4R2
SCHEMBL443876 0.77 LPAR1 (0.38)

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 PTPN1 3372/4885CRHBP 2121/4885CRHR2 3738/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 PTPN1 3372/4885CRHBP 2121/4885CRHR2 3738/4885

“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.