SCHEMBL4499756

SCHEMBL4499756

Cc1cc(C(N)=O)nn1-c1ccc(F)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.60
SCN9A Q15858 14/20 0.58
CYP2C9 P11712 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
NPY5R Q15761 1/20 0.44

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
SCHEMBL15167854 0.84 L3MBTL1 (0.64) L3MBTL1SCN9ANPY5R
SCHEMBL17055466 0.84 MALT1 (0.53) L3MBTL1SCN9AALDH1A1POLBNPY5R
SCHEMBL4495998 0.82 RXFP1 (0.48) ALDH1A1POLB
SCHEMBL17055469 0.78 L3MBTL1 (0.56) L3MBTL1ALDH1A1POLB
SCHEMBL20788239 0.77 L3MBTL1 (0.56) L3MBTL1SCN9ANPY5R
SCHEMBL20788407 0.76 L3MBTL1 (0.54) L3MBTL1SCN9ACYP2C9CYP3A4CYP2D6
SCHEMBL31518946 0.76 L3MBTL1 (0.69) L3MBTL1SCN9AALDH1A1
SCHEMBL13710646 0.75 SCN9A (0.76) SCN9ACYP2C9CYP3A4CYP2D6
SCHEMBL4058019 0.75 SCN9A (0.64) L3MBTL1SCN9ACYP2C9CYP3A4CYP2D6
Potassium Ion SCHEMBL7190441 0.74 RIPK1 (0.51) L3MBTL1ALDH1A1POLB

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-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
EP-1615895-A4 BIARYL SUBSTITUTED PYRAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO INC (US) 2007-11-07 EP disclosed
US-20060183785-A1 Biaryl substituted pyrazoles as sodium channel blockers MERCK SHARP & DOHME CORP. 2006-08-17 US disclosed
EP-1615895-A1 BIARYL SUBSTITUTED PYRAZOLES AS SODIUM CHANNEL BLOCKERS Merck & Co., Inc. (US) 2006-01-18 EP disclosed
WO-2004092140-A1 BIARYL SUBSTITUTED PYRAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2004-10-28 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 (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 L3MBTL1 3736/4885SCN9A 78/4885CYP2C9 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.