SCHEMBL4314151

SCHEMBL4314151

NC(=O)c1nc(-c2ccc(F)c(-c3ccccc3-c3ccc(OC(F)(F)F)cc3)c2)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.46
AOC3 Q16853 2/20 0.43
ABL1 P00519 5/20 0.40
FFAR4 Q5NUL3 2/20 0.39
FFAR1 O14842 1/20 0.39
CHEK2 O96017 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 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
SCHEMBL4332131 0.89 SCN9A (0.49) SCN9AAOC3ABL1CHEK2CYP3A4
SCHEMBL4491094 0.88 SCN9A (0.59) SCN9AAOC3CYP3A4CYP2D6CYP2C9
SCHEMBL5001287 0.83 AOC3 (0.43) SCN9AAOC3
SCHEMBL4320150 0.83 AOC3 (0.40) SCN9AAOC3CHEK2
SCHEMBL4321753 0.82 AOC3 (0.38) SCN9AAOC3ABL1
SCHEMBL4483669 0.82 SCN9A (0.56) SCN9ACYP3A4CYP2D6CYP2C9
SCHEMBL4327442 0.81 SCN9A (0.50) SCN9AAOC3ABL1CYP3A4CYP2D6
SCHEMBL4323190 0.81 CHEK2 (0.42) SCN9AAOC3CHEK2
SCHEMBL4320132 0.81 SCN9A (0.48) SCN9AAOC3CYP3A4CYP2D6CYP2C9
SCHEMBL13913158 0.81 ADORA2A (0.42) SCN9AAOC3

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 50/4885AOC3 2903/4885ABL1 2236/4885
US-20060020006-A1 Substituted triazoles as sodium channel blockers TRPV1, SCN3A, SCN5A SCN9A 50/4885AOC3 3035/4885ABL1 2204/4885

“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.