SCHEMBL4501774

SCHEMBL4501774

CCNC(=O)c1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n[nH]1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 14/20 0.53
ABL1 P00519 2/20 0.52
CYP2C9 P11712 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 2/20 0.43
SCN10A Q9Y5Y9 1/20 0.42
TRPA1 O75762 1/20 0.42
CTSA P10619 1/20 0.42

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
SCHEMBL4492267 0.89 SCN9A (0.53) SCN9ACYP2C9CYP3A4CYP2D6HCRTR1
SCHEMBL4498464 0.86 SCN9A (0.56) SCN9ACYP2C9CYP3A4CYP2D6HCRTR1
SCHEMBL6824614 0.85 SCN9A (0.53) SCN9AABL1CYP2C9CYP3A4CYP2D6
SCHEMBL4492039 0.84 SCN9A (0.57) SCN9ACYP2C9CYP3A4CYP2D6HCRTR1
SCHEMBL4490066 0.84 SCN9A (0.55) SCN9AABL1CYP2C9CYP3A4CYP2D6
SCHEMBL1400166 0.83 SCN9A (0.65) SCN9ACYP2C9CYP3A4CYP2D6SCN10A
SCHEMBL4317867 0.80 SCN9A (0.60) SCN9ACYP2C9CYP3A4CYP2D6SCN10A
SCHEMBL1400156 0.78 SCN9A (0.60) SCN9ACYP2C9CYP3A4CYP2D6HCRTR1
SCHEMBL4482849 0.77 SCN9A (0.59) SCN9ACYP2C9CYP3A4CYP2D6HCRTR1
SCHEMBL4488184 0.76 SCN9A (0.53) SCN9ACYP2C9CYP3A4CYP2D6HCRTR1

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 9 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
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 56/4885ABL1 1341/4885CYP2C9 349/4885
US-20050119261-A1 Biaryl substituted triazoles as sodium channnel blockers SCN3A, TRPV1, KCNN3 SCN9A 67/4885ABL1 1816/4885CYP2C9 279/4885
US-20060183897-A1 Biaryl substituted triazoles as sodium channel blockers SCN3A, TRPV1, SCN1B SCN9A 56/4885ABL1 1341/4885CYP2C9 349/4885

“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.