SCHEMBL4564282

SCHEMBL4564282

NC(=O)c1nc(-c2cccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)c2)n[nH]1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.50
CYP2C9 P11712 3/20 0.50
SCN5A Q14524 1/20 0.46
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAP2K4 P45985 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
EDNRB P24530 1/20 0.40
EDNRA P25101 1/20 0.40
DHODH Q02127 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.39
PARP1 P09874 1/20 0.39
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
AOC3 Q16853 2/20 0.38
EIF4E P06730 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 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
SCHEMBL4488075 0.87 SCN9A (0.62) SCN9ACYP2C9SCN5ACYP3A4CYP2D6
SCHEMBL4314128 0.86 SCN9A (0.47) SCN9ACYP2C9SCN5ACYP3A4CYP2D6
SCHEMBL4325195 0.85 SCN9A (0.47) SCN9ACYP2C9SCN5ACYP3A4CYP2D6
SCHEMBL4324593 0.85 SCN9A (0.43) SCN9ACYP2C9SCN5ACYP3A4CYP2D6
SCHEMBL4324382 0.83 SCN9A (0.57) SCN9ACYP2C9SCN5ACYP3A4CYP2D6
SCHEMBL4481507 0.83 SCN9A (0.51) SCN9ACYP2C9SCN5ACYP3A4CYP2D6
SCHEMBL4480545 0.82 SCN9A (0.49) SCN9ACYP2C9SCN5ADHODHSCN10A
SCHEMBL4489557 0.80 CYP2C9 (0.44) SCN9ACYP2C9SCN5ACYP3A4CYP2D6
SCHEMBL4320772 0.77 ATAD2 (0.43) SCN9ACYP2C9CYP3A4CYP2D6DHODH
SCHEMBL4320122 0.76 XPO1 (0.43) SCN9APARP1AOC3

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 6 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
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-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
US-20050119261-A1 Biaryl substituted triazoles as sodium channnel blockers MERCK SHARP & DOHME LLC 2005-06-02 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 (3 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 349/4885SCN5A 5/4885
US-20050119261-A1 Biaryl substituted triazoles as sodium channnel blockers SCN3A, TRPV1, KCNN3 SCN9A 67/4885CYP2C9 279/4885SCN5A 12/4885
US-20060183897-A1 Biaryl substituted triazoles as sodium channel blockers SCN3A, TRPV1, SCN1B SCN9A 56/4885CYP2C9 349/4885SCN5A 5/4885

“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.