SCHEMBL4317867

SCHEMBL4317867

NC(=O)c1nc(-c2cccc(-c3ccccc3-c3ccccc3OC(F)(F)F)c2)n[nH]1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.60
CYP2C9 P11712 2/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
SCN10A Q9Y5Y9 1/20 0.49

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
SCHEMBL1400166 0.96 SCN9A (0.65) SCN9ACYP2C9CYP3A4CYP2D6SCN10A
SCHEMBL4329519 0.89 SCN9A (0.51) SCN9ACYP2C9CYP3A4CYP2D6SCN10A
SCHEMBL4327442 0.88 SCN9A (0.50) SCN9ACYP2C9CYP3A4CYP2D6SCN10A
SCHEMBL4332131 0.87 SCN9A (0.49) SCN9ACYP2C9CYP3A4CYP2D6SCN10A
SCHEMBL4491094 0.86 SCN9A (0.59) SCN9ACYP2C9CYP3A4CYP2D6SCN10A
SCHEMBL4492039 0.86 SCN9A (0.57) SCN9ACYP2C9CYP3A4CYP2D6SCN10A
SCHEMBL4324341 0.85 SCN9A (0.54) SCN9ACYP2C9CYP3A4CYP2D6SCN10A
SCHEMBL4498464 0.85 SCN9A (0.56) SCN9ACYP2C9CYP3A4CYP2D6SCN10A
SCHEMBL4331573 0.84 SCN9A (0.50) SCN9ACYP2C9CYP3A4CYP2D6SCN10A
SCHEMBL4324382 0.84 SCN9A (0.57) SCN9ACYP2C9CYP3A4CYP2D6SCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090074890-A1 Substituted Triazoles as Sodium Channel Blockers MERCK SHARP & DOHME CORP. 2009-03-19 US disclosed
US-20090074890-A1 Substituted Triazoles as Sodium Channel Blockers MERCK SHARP & DOHME CORP. 2009-03-19 US disclosed
US-7459475-B2 Substituted triazoles as sodium channel blockers MERCK & CO. INC. (US) 2008-12-02 US disclosed
US-7459475-B2 Substituted triazoles as sodium channel blockers MERCK & CO. INC. (US) 2008-12-02 US disclosed
EP-1694654-A2 SUBSTITUTED TRIAZOLES AS SODIUM CHANNEL BLOCKERS Merck & Co., Inc. (US) 2006-08-30 EP disclosed
US-20060020006-A1 Substituted triazoles as sodium channel blockers MERCK SHARP & DOHME LLC 2006-01-26 US disclosed
WO-2005047270-A2 SUBSTITUTED TRIAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2005-05-26 WO 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-20090074890-A1 Substituted Triazoles as Sodium Channel Blockers TRPV1, SCN3A, SCN5A SCN9A 50/4885CYP2C9 565/4885CYP3A4 699/4885
US-20060020006-A1 Substituted triazoles as sodium channel blockers TRPV1, SCN3A, SCN5A SCN9A 50/4885CYP2C9 574/4885CYP3A4 695/4885

“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.