SCHEMBL4487399

SCHEMBL4487399

Cn1nc(C(N)=O)cc1-c1cccc(-c2ccccc2OC(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 19/20 0.65
SCN10A Q9Y5Y9 1/20 0.63
CYP2C9 P11712 2/20 0.60
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
PLA2G10 O15496 1/20 0.50

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
SCHEMBL4504115 0.83 SCN9A (0.63) SCN9ASCN10ACYP2C9CYP3A4CYP2D6
SCHEMBL27629492 0.81 PLA2G10 (0.56) SCN9ASCN10ACYP2C9PLA2G10
SCHEMBL4489218 0.80 SCN9A (0.61) SCN9ASCN10ACYP2C9CYP3A4CYP2D6
SCHEMBL27622267 0.80 SCN9A (0.59) SCN9ASCN10ACYP2C9CYP3A4CYP2D6
SCHEMBL4505072 0.79 SCN9A (1.00) SCN9ASCN10A
SCHEMBL14013694 0.78 SCN9A (0.60) SCN9ASCN10ACYP2C9CYP3A4CYP2D6
SCHEMBL13710537 0.77 SCN9A (1.00) SCN9ASCN10A
SCHEMBL13710529 0.77 SCN9A (1.00) SCN9ASCN10ACYP2C9
SCHEMBL27649782 0.75 PLA2G10 (0.60) SCN9ASCN10ACYP2C9CYP3A4CYP2D6
SCHEMBL1400209 0.75 SCN9A (0.65) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589116-B2 Biaryl substituted pyrazoles as sodium channel blockers MERCK & CO. INC. (US) 2009-09-15 US disclosed
US-7589116-B2 Biaryl substituted pyrazoles as sodium channel blockers MERCK & CO. INC. (US) 2009-09-15 US disclosed
US-7589116-B2 Biaryl substituted pyrazoles as sodium channel blockers MERCK & CO. INC. (US) 2009-09-15 US disclosed
US-20060183785-A1 Biaryl substituted pyrazoles as sodium channel blockers MERCK SHARP & DOHME CORP. 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 (1 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-20060183785-A1 Biaryl substituted pyrazoles as sodium channel blockers TRPV1, TRPA1, TRPV3 SCN9A 78/4885SCN10A 64/4885CYP2C9 952/4885

“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.