SCHEMBL9953518

SCHEMBL9953518

C=CC(=O)Nc1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 10/20 0.66
TEK Q02763 10/20 0.66
KDR P35968 7/20 0.64
GSTO1 P78417 1/20 0.54
SCN9A Q15858 7/20 0.52
TGM2 P21980 1/20 0.48

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
SCHEMBL18883533 0.85 TEK (0.60) EPHB4TEKKDRGSTO1SCN9A
SCHEMBL9953254 0.79 SCN9A (0.78) SCN9A
SCHEMBL805934 0.75 SCN9A (0.58) SCN9A
SCHEMBL24168624 0.75 TGM2 (0.61) KDRTGM2
SCHEMBL10247654 0.74 SCN9A (0.64) SCN9A
SCHEMBL15400578 0.74 SCN9A (0.67) SCN9A
SCHEMBL3139377 0.73 SCN9A (0.72) SCN9A
SCHEMBL805972 0.73 SCN9A (0.55) SCN9A
SCHEMBL31745588 0.73 EPHB4 (0.39) EPHB4TEKKDRGSTO1SCN9A
SCHEMBL174072 0.71 TGM2 (0.53) EPHB4TEKKDRTGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9656959-B2 Substituted pyridines as sodium channel blockers PURDUE PHARMA L.P. (US) 2017-05-23 US disclosed
US-9656959-B2 Substituted pyridines as sodium channel blockers PURDUE PHARMA L.P. (US) 2017-05-23 US disclosed
EP-2655330-B1 SUBSTITUTED PYRIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA LP (US) 2016-02-10 EP disclosed
EP-2655330-B1 SUBSTITUTED PYRIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA LP (US) 2016-02-10 EP disclosed
US-20140005212-A1 Substituted Pyridines as Sodium Channel Blockers PURDUE PHARMA L.P. (US) 2014-01-02 US disclosed
EP-2655330-A1 SUBSTITUTED PYRIDINES AS SODIUM CHANNEL BLOCKERS Purdue Pharma LP (US) 2013-10-30 EP disclosed
WO-2012085650-A1 SUBSTITUTED PYRIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2012-06-28 WO disclosed
WO-2012085650-A1 SUBSTITUTED PYRIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2012-06-28 WO 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-20140005212-A1 Substituted Pyridines as Sodium Channel Blockers SCN1B, CACNA1A, SCN1A EPHB4 1058/4885TEK 3023/4885KDR 2115/4885

“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.