SCHEMBL4756622

SCHEMBL4756622

CCOC(=O)c1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)cs1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 16/20 0.73
CYP2C9 P11712 3/20 0.73
CYP3A4 P08684 1/20 0.73
CYP2D6 P10635 1/20 0.73
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
CTSA P10619 2/20 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
SCHEMBL15945427 0.86 SCN9A (0.80) SCN9ACYP2C9CYP3A4CYP2D6CTSA
SCHEMBL14564390 0.84 SCN9A (1.00) SCN9ACYP2C9CYP3A4CYP2D6
SCHEMBL14564366 0.81 ALDH1A1 (0.48) CYP2C9KDM4EMEN1ALDH1A1GAA
SCHEMBL1400239 0.81 SCN9A (0.58) SCN9ACYP2C9CYP3A4CYP2D6CTSA
SCHEMBL12876854 0.80 ATP4A (0.49) SCN9ACYP2C9CYP3A4CYP2D6KDM4E
SCHEMBL6824614 0.80 SCN9A (0.53) SCN9ACYP2C9CYP3A4CYP2D6CTSA
SCHEMBL1198019 0.80 MEN1 (0.58) CYP2C9KDM4EMEN1ALDH1A1GAA
SCHEMBL4500014 0.79 SCN9A (0.72) SCN9ACYP2C9CYP3A4CYP2D6MAPT
SCHEMBL10222537 0.78 L3MBTL1 (0.50) SCN9ACYP2C9KDM4EMEN1ALDH1A1
SCHEMBL694852 0.78 ALDH1A1 (0.56) KDM4EMEN1ALDH1A1GAAMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1618099-A4 BIARYL SUBSTITUTED THIAZOLES, OXAZOLES AND IMIDAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO INC (US) 2008-07-16 EP disclosed
US-20070060584-A1 Biaryl substituted thiazoles, oxazoles and imidazoles as sodium channel blockers MERCK & CO., INC. 2007-03-15 US disclosed
US-20070060584-A1 Biaryl substituted thiazoles, oxazoles and imidazoles as sodium channel blockers MERCK & CO., INC. 2007-03-15 US disclosed
US-20070060584-A1 Biaryl substituted thiazoles, oxazoles and imidazoles as sodium channel blockers MERCK & CO., INC. 2007-03-15 US disclosed
EP-1618099-A2 BIARYL SUBSTITUTED THIAZOLES, OXAZOLES AND IMIDAZOLES AS SODIUM CHANNEL BLOCKERS Merck & Co., Inc. (US) 2006-01-25 EP disclosed
WO-2004094395-A2 BIARYL SUBSTITUTED THIAZOLES, OXAZOLES AND IMIDAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2004-11-04 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-20070060584-A1 Biaryl substituted thiazoles, oxazoles and imidazoles as sodium channel blockers TRPV1, TRPA1, TRPV3 SCN9A 70/4885CYP2C9 1715/4885CYP3A4 1979/4885

“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.