SCHEMBL13754841

SCHEMBL13754841

NC(=O)c1nc(-c2cccc(-c3ccccc3OCC(F)(F)F)c2)n[nH]1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 15/20 0.52
CYP2C9 P11712 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
UGCG Q16739 1/20 0.46
AOC3 Q16853 2/20 0.42
SCN5A Q14524 1/20 0.42
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
SCD O00767 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
SCHEMBL4321718 0.92 SCN9A (0.54) SCN9ACYP2C9CYP3A4CYP2D6AOC3
SCHEMBL13754838 0.87 SCN9A (0.47) SCN9ACYP2C9CYP3A4CYP2D6UGCG
SCHEMBL1400166 0.86 SCN9A (0.65) SCN9ACYP2C9CYP3A4CYP2D6SCN10A
SCHEMBL4320064 0.84 PTGER1 (0.55) CYP2C9FEN1
SCHEMBL4329018 0.84 PTGER1 (0.47) SCN9ACYP2C9CYP3A4CYP2D6AOC3
SCHEMBL1400056 0.83 SCN9A (0.60) SCN9ACYP2C9CYP3A4CYP2D6AOC3
SCHEMBL4325194 0.83 SCN9A (0.61) SCN9ACYP2C9CYP3A4CYP2D6AOC3
SCHEMBL4327295 0.83 PTGER1 (0.43) SCN9ACYP2C9CYP3A4CYP2D6AOC3
SCHEMBL13913159 0.82 SCN9A (0.48) SCN9ACYP2C9CYP3A4CYP2D6AOC3
SCHEMBL4488075 0.82 SCN9A (0.62) SCN9ACYP2C9CYP3A4CYP2D6AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572822-B2 Biaryl substituted triazoles as sodium channel blockers MERCK & CO. INC. (US) 2009-08-11 US disclosed
US-20080171777-A1 Biaryl substituted triazoles as sodium channel blockers MERCK SHARP & DOHME LLC 2008-07-17 US disclosed
US-7326726-B2 Biaryl substituted triazoles as sodium channel blockers MERCK & CO., INC. (US) 2008-02-05 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-20080171777-A1 Biaryl substituted triazoles as sodium channel blockers SCN3A, TRPV1, SCN1B SCN9A 56/4885CYP2C9 349/4885CYP3A4 510/4885

“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.