SCHEMBL4480545

SCHEMBL4480545

NC(=O)c1nc(-c2cccc(-c3c(C(F)(F)F)cccc3C(F)(F)F)c2)n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.49
SCD O00767 1/20 0.41
AOC3 Q16853 2/20 0.41
ERN1 O75460 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.38
TRPA1 O75762 1/20 0.38
CYP2C9 P11712 1/20 0.36
SCN5A Q14524 1/20 0.36
DHODH Q02127 1/20 0.36
PARP1 P09874 2/20 0.36
CNR2 P34972 1/20 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
SCHEMBL4488075 0.88 SCN9A (0.62) SCN9ASCDAOC3SCN10ATRPA1
SCHEMBL4324382 0.86 SCN9A (0.57) SCN9ASCDAOC3SCN10ATRPA1
SCHEMBL4481507 0.83 SCN9A (0.51) SCN9ASCDAOC3SCN10ATRPA1
SCHEMBL4564282 0.82 SCN9A (0.50) SCN9AAOC3SCN10ACYP2C9SCN5A
SCHEMBL6429471 0.81 SCN9A (0.46) SCN9ASCDAOC3SCN10APARP1
SCHEMBL13754829 0.80 DHODH (0.49) AOC3DHODHPARP1
SCHEMBL4314128 0.80 SCN9A (0.47) SCN9ACYP2C9SCN5APARP1CNR2
SCHEMBL4325195 0.79 SCN9A (0.47) SCN9AAOC3CYP2C9SCN5ADHODH
SCHEMBL4320772 0.76 ATAD2 (0.43) SCN9AAOC3CYP2C9DHODH
SCHEMBL13913114 0.76 ALDH1A1 (0.56) AOC3PARP1

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 10 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-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 56/4885SCD 1725/4885AOC3 2531/4885
US-20050119261-A1 Biaryl substituted triazoles as sodium channnel blockers SCN3A, TRPV1, KCNN3 SCN9A 67/4885SCD 969/4885AOC3 2158/4885
US-20060183897-A1 Biaryl substituted triazoles as sodium channel blockers SCN3A, TRPV1, SCN1B SCN9A 56/4885SCD 1725/4885AOC3 2531/4885

“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.