SCHEMBL443615

SCHEMBL443615

COc1ccc(CN(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2cccc(C(=O)O)c2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 2/20 0.44
LPAR1 Q92633 1/20 0.42
ALDH1A1 P00352 3/20 0.40
AGTR1 P30556 5/20 0.39
AGTR2 P50052 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
MEP1B Q16820 1/20 0.38
HTT P42858 1/20 0.37
PPARA Q07869 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 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
SCHEMBL447385 0.94 LPAR1 (0.44) TAS2R14LPAR1AGTR1AGTR2L3MBTL1
SCHEMBL443676 0.88 LTB4R2 (0.42) LPAR1AGTR1AGTR2MEP1B
SCHEMBL444274 0.86 AGTR1 (0.42) LPAR1AGTR1AGTR2MEN1KMT2A
SCHEMBL445920 0.84 PTPN1 (0.40) LPAR1AGTR1AGTR2MEP1B
SCHEMBL9590068 0.83 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL443505 0.83 LPAR1 (0.45) LPAR1AGTR1AGTR2
SCHEMBL446830 0.81 LTB4R2 (0.53) LPAR1AGTR1
SCHEMBL443876 0.81 LPAR1 (0.38) LPAR1AGTR1AGTR2
SCHEMBL446384 0.80 LTB4R2 (0.53) AGTR1
SCHEMBL448588 0.79 PTPN1 (0.44) ALDH1A1L3MBTL1MEN1KMT2AMEP1B

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 TAS2R14 3318/4885LPAR1 2891/4885ALDH1A1 240/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 TAS2R14 3318/4885LPAR1 2891/4885ALDH1A1 240/4885

“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.