SCHEMBL4499117

SCHEMBL4499117

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.47
SCN9A Q15858 1/20 0.46
GABRA2 P47869 2/20 0.45
GABRB2 P47870 2/20 0.45
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 3/20 0.43
ALDH1A1 P00352 3/20 0.43
PDE2A O00408 1/20 0.43
PDE10A Q9Y233 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42
CYP1A2 P05177 1/20 0.42
HTT P42858 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL5477505 0.84 HTT (0.57) GABRA2GABRB2MAPTLMNARAB9A
SCHEMBL4500055 0.82 SCN9A (0.54) EGLN1SCN9AMAPTRAB9ANPC1
SCHEMBL2411096 0.80 HPGDS (0.62) MAPTNPSR1RAB9ANPC1ALDH1A1
SCHEMBL16799801 0.78 HPGDS (0.54) MAPTLMNARAB9ANPC1ALDH1A1
SCHEMBL4500051 0.78 PTGDR2 (0.54) MAPTRAB9ANPC1ALDH1A1KDM4E
SCHEMBL2439454 0.78 PDE4B (0.52) EGLN1GABRA2GABRB2MAPTNPSR1
SCHEMBL18586308 0.77 ALKBH1 (0.54) EGLN1RAB9ANPC1SMN1; SMN2PTGDR2
SCHEMBL1886868 0.77 NOTUM (0.65) SCN9AGABRA2GABRB2MAPTNPSR1
SCHEMBL22617396 0.77 NOTUM (0.45) GABRA2GABRB2NPSR1LMNARAB9A
SCHEMBL29541402 0.77 NOTUM (0.45) GABRA2GABRB2NPSR1LMNARAB9A

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 5 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
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 EGLN1 3841/4885SCN9A 78/4885GABRA2 190/4885

“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.