SCHEMBL10285453

SCHEMBL10285453

N#Cc1cc(N=O)cc(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 2/20 0.35
▸ CES2 O00748 1/20 0.31
▸ CES1 P23141 1/20 0.31
▸ KHK P50053 1/20 0.31

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
SCHEMBL20329648 0.81 TRPV4 (0.33) TRPV4
SCHEMBL11982890 0.78 CES2 (0.42) CES2CES1
SCHEMBL13890151 0.76 GRM4 (0.40) TRPV4
SCHEMBL8739027 0.76 TRPV4 (0.52) TRPV4
SCHEMBL1996117 0.72 TRPV4 (0.41) TRPV4CES2CES1KHK
SCHEMBL9491002 0.70 TRPV4 (0.40) TRPV4CES2CES1KHK
SCHEMBL809090 0.69 TRPV4 (0.48) TRPV4CES2CES1KHK
SCHEMBL31588414 0.69 TRPV4 (0.48) TRPV4CES2CES1KHK
SCHEMBL23850353 0.68 AR (0.46) TRPV4CES2CES1
SCHEMBL20267322 0.68 KHK (0.41) TRPV4KHK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2012-02-02 — — US 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 (1 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-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 TRPV4 980/4885CES2 1244/4885CES1 1947/4885

“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.

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