SCHEMBL4494738

SCHEMBL4494738

Cn1nc(-c2cccc(-c3ccccc3C(F)(F)F)c2)cc1C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 15/20 0.64
SCN10A Q9Y5Y9 2/20 0.58
CYP2C9 P11712 3/20 0.45
SCN5A Q14524 1/20 0.45
TRPA1 O75762 1/20 0.44
NTRK1 P04629 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
PHGDH O43175 1/20 0.42
GRM5 P41594 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
SCHEMBL4489218 0.83 SCN9A (0.61) SCN9ASCN10ACYP2C9CYP3A4CYP2D6
SCHEMBL27629488 0.80 SCN9A (0.43) SCN9ASCN10ANTRK1PHGDH
SCHEMBL4504115 0.79 SCN9A (0.63) SCN9ASCN10ACYP2C9SCN5ATRPA1
SCHEMBL2678185 0.78 PHGDH (0.60) PHGDH
SCHEMBL3435638 0.76 CA12 (0.54) SCN9ATRPA1NTRK1
SCHEMBL2832477 0.76 SCN9A (0.58) SCN9ASCN10A
SCHEMBL4485194 0.75 PHGDH (0.46) PHGDH
Hydrochloric Acid SCHEMBL29833674 0.74 SCN9A (0.57) SCN9ASCN10A
SCHEMBL14564398 0.74 SCN9A (0.64) SCN9ASCN10ACYP2C9TRPA1CYP3A4
SCHEMBL19936469 0.73 KMO (0.43) SCN9ASCN10ATRPA1NTRK1CYP3A4

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 2 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-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.