SCHEMBL9953807

SCHEMBL9953807

C=Cc1cc(NC(=O)C(C)(C)C)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 16/20 0.48
ADORA1 P30542 1/20 0.45
FPR2 P25090 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
DHODH Q02127 1/20 0.42
ABL1 P00519 1/20 0.41

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
SCHEMBL9953703 0.86 SCN9A (0.64) SCN9AADORA1FPR2ADORA3ADORA2A
SCHEMBL9959221 0.81 SCN9A (0.69) SCN9A
SCHEMBL9959225 0.81 SCN9A (0.69) SCN9A
SCHEMBL364073 0.78 SCN9A (0.50) SCN9AFPR2
SCHEMBL805904 0.74 SCN9A (0.43) SCN9ADHODH
SCHEMBL10224691 0.73 SCN9A (0.40) SCN9AADORA1FPR2ADORA3ADORA2A
SCHEMBL9959126 0.73 SCN9A (0.40) SCN9AADORA1FPR2ADORA3ADORA2A
SCHEMBL805985 0.71 SCN9A (0.60) SCN9A
SCHEMBL17049606 0.71 SCN9A (0.52) SCN9A
SCHEMBL17049449 0.70 SCN9A (0.56) SCN9A

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 9 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
CN-103429571-A Substituted pyridines as sodium channel blockers PURDUE PHARMA LP 2013-12-04 CN 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 SCN9A 97/4885ADORA1 51/4885FPR2 1488/4885

“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.