SCHEMBL4488075

SCHEMBL4488075

NC(=O)c1nc(-c2cccc(-c3ccccc3C(F)(F)F)c2)n[nH]1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.62
SCN10A Q9Y5Y9 1/20 0.51
PARP1 P09874 1/20 0.44
TRPA1 O75762 2/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
CYP2C9 P11712 3/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
SCD O00767 1/20 0.42
SCN5A Q14524 1/20 0.41
BACE1 P56817 1/20 0.41
AOC3 Q16853 2/20 0.39

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
SCHEMBL4324382 0.95 SCN9A (0.57) SCN9ASCN10APARP1TRPA1TRPM8
SCHEMBL4481507 0.88 SCN9A (0.51) SCN9ASCN10ATRPA1CYP2C9CYP3A4
SCHEMBL4480545 0.88 SCN9A (0.49) SCN9ASCN10APARP1TRPA1CYP2C9
SCHEMBL4564282 0.87 SCN9A (0.50) SCN9ASCN10APARP1CYP2C9CYP3A4
SCHEMBL4314128 0.87 SCN9A (0.47) SCN9APARP1CYP2C9CYP3A4CYP2D6
SCHEMBL4325195 0.86 SCN9A (0.47) SCN9APARP1CYP2C9CYP3A4CYP2D6
SCHEMBL4320772 0.85 ATAD2 (0.43) SCN9ACYP2C9CYP3A4CYP2D6AOC3
SCHEMBL4314927 0.83 XPO1 (0.44) SCN9APARP1CYP2C9CYP3A4CYP2D6
SCHEMBL1400166 0.83 SCN9A (0.65) SCN9ASCN10ACYP2C9CYP3A4CYP2D6
SCHEMBL13754841 0.82 SCN9A (0.52) SCN9ASCN10ACYP2C9CYP3A4CYP2D6

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-7572822-B2 Biaryl substituted triazoles as sodium channel blockers MERCK & CO. INC. (US) 2009-08-11 US disclosed
US-7572822-B2 Biaryl substituted triazoles as sodium channel blockers MERCK & CO. INC. (US) 2009-08-11 US disclosed
EP-1606269-B1 BIARYL SUBSTITUTED TRIAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO INC (US) 2008-10-29 EP disclosed
EP-1606269-B1 BIARYL SUBSTITUTED TRIAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO INC (US) 2008-10-29 EP disclosed
US-20080171777-A1 Biaryl substituted triazoles as sodium channel blockers MERCK SHARP & DOHME LLC 2008-07-17 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
US-20060183897-A1 Biaryl substituted triazoles as sodium channel blockers MERCK & CO., INC. 2006-08-17 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 (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-20080171777-A1 Biaryl substituted triazoles as sodium channel blockers SCN3A, TRPV1, SCN1B SCN9A 56/4885SCN10A 68/4885PARP1 2854/4885
US-20060183897-A1 Biaryl substituted triazoles as sodium channel blockers SCN3A, TRPV1, SCN1B SCN9A 56/4885SCN10A 68/4885PARP1 2854/4885

“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.