SCHEMBL4500055

SCHEMBL4500055

NC(=O)c1cnn(-c2cccc(-c3ccccc3Cl)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.54
EGLN1 Q9GZT9 2/20 0.52
MAP4K4 O95819 1/20 0.46
HPGDS O60760 1/20 0.46
ALKBH2 Q6NS38 1/20 0.46
CHEK2 O96017 1/20 0.43
NPC1 O15118 3/20 0.42
BTK Q06187 1/20 0.42
GRM2 Q14416 1/20 0.41
GRM5 P41594 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
MAPT P10636 2/20 0.40
NFKB1 P19838 2/20 0.40
RAB9A P51151 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL4499117 0.82 EGLN1 (0.47) SCN9AEGLN1NPC1PTGDR2MAPT
SCHEMBL2190049 0.77 ALKBH2 (0.74) EGLN1MAP4K4HPGDSALKBH2NPC1
SCHEMBL4481678 0.76 HPGDS (0.51) MAP4K4HPGDSALKBH2NPC1BTK
SCHEMBL30132085 0.76 HPGDS (0.51) MAP4K4HPGDSALKBH2NPC1BTK
SCHEMBL4484548 0.74 SCN9A (0.57) SCN9A
SCHEMBL30573194 0.72 MAP4K4 (0.44) EGLN1MAP4K4HPGDSALKBH2CHEK2
SCHEMBL3107063 0.72 EPHX2 (0.64) EGLN1HPGDSALKBH2NPC1BTK
SCHEMBL2688812 0.70 CHEK2 (0.58) SCN9AMAP4K4CHEK2MAPT
SCHEMBL7846008 0.70 EPHB4 (0.44) EGLN1MAP4K4HPGDSALKBH2NPC1
SCHEMBL30978305 0.70 BTK (0.48) SCN9AEGLN1HPGDSALKBH2NPC1

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 SCN9A 78/4885EGLN1 3841/4885MAP4K4 1380/4885

“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.