SCHEMBL4317880

SCHEMBL4317880

NC(=O)c1nc(-c2ccc(F)c(-c3ccccc3OCC(F)(F)C(F)(F)F)c2)n[nH]1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 15/20 0.48
SCN5A Q14524 2/20 0.48
SCN10A Q9Y5Y9 3/20 0.43
AOC3 Q16853 2/20 0.41
PTGER1 P34995 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36

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
SCHEMBL4322395 0.94 SCN9A (0.44) SCN9ASCN5ASCN10AAOC3PTGER1
SCHEMBL13754838 0.92 SCN9A (0.47) SCN9ASCN5AAOC3PTGER1CYP3A4
SCHEMBL4324603 0.90 SCN9A (0.45) SCN9ASCN5ASCN10AAOC3CYP3A4
SCHEMBL4321718 0.87 SCN9A (0.54) SCN9ASCN5ASCN10AAOC3CYP3A4
SCHEMBL4331646 0.86 PDE10A (0.45) SCN9AAOC3PTGER1
SCHEMBL13913168 0.86 PTGER1 (0.41) SCN9ASCN5ASCN10APTGER1ALOX5AP
SCHEMBL4321404 0.86 SCN9A (0.48) SCN9ASCN5ASCN10AAOC3PTGER1
SCHEMBL4314279 0.85 SCN9A (0.43) SCN9AAOC3PTGER1
SCHEMBL4491094 0.85 SCN9A (0.59) SCN9ASCN10AAOC3CYP3A4CYP2D6
SCHEMBL4314077 0.84 AOC3 (0.44) SCN9AAOC3PTGER1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090074890-A1 Substituted Triazoles as Sodium Channel Blockers MERCK SHARP & DOHME CORP. 2009-03-19 US disclosed
US-20090074890-A1 Substituted Triazoles as Sodium Channel Blockers MERCK SHARP & DOHME CORP. 2009-03-19 US disclosed
US-7459475-B2 Substituted triazoles as sodium channel blockers MERCK & CO. INC. (US) 2008-12-02 US disclosed
US-7459475-B2 Substituted triazoles as sodium channel blockers MERCK & CO. INC. (US) 2008-12-02 US disclosed
EP-1694654-A2 SUBSTITUTED TRIAZOLES AS SODIUM CHANNEL BLOCKERS Merck & Co., Inc. (US) 2006-08-30 EP disclosed
US-20060020006-A1 Substituted triazoles as sodium channel blockers MERCK SHARP & DOHME LLC 2006-01-26 US disclosed
WO-2005047270-A2 SUBSTITUTED TRIAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2005-05-26 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 (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-20090074890-A1 Substituted Triazoles as Sodium Channel Blockers TRPV1, SCN3A, SCN5A SCN9A 50/4885SCN5A 3/4885SCN10A 52/4885
US-20060020006-A1 Substituted triazoles as sodium channel blockers TRPV1, SCN3A, SCN5A SCN9A 50/4885SCN5A 3/4885SCN10A 49/4885

“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.