SCHEMBL4754489

SCHEMBL4754489

O=C(CBr)c1cccc(-c2ccccc2OC(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 17/20 0.52
CYP2C9 P11712 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
FFAR1 O14842 1/20 0.50
SCN10A Q9Y5Y9 1/20 0.47
CTSA P10619 1/20 0.46
GRM5 P41594 1/20 0.46

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
SCHEMBL29784182 0.83 SCN9A (0.56) SCN9ACYP2C9CYP3A4CYP2D6FFAR1
SCHEMBL1400067 0.83 SCN9A (0.56) SCN9ACYP2C9CYP3A4CYP2D6FFAR1
SCHEMBL14564399 0.83 SCN9A (0.51) SCN9ACYP2C9CYP3A4CYP2D6FFAR1
SCHEMBL4507814 0.82 SCN9A (0.55) SCN9ACYP2C9CYP3A4CYP2D6SCN10A
SCHEMBL1400209 0.82 SCN9A (0.65) SCN9ACYP2C9CYP3A4CYP2D6SCN10A
SCHEMBL1400086 0.82 SCN9A (0.57) SCN9ACYP2C9CYP3A4CYP2D6FFAR1
SCHEMBL4499621 0.81 SCN9A (0.50) SCN9ACYP2C9CYP3A4CYP2D6FFAR1
SCHEMBL1400239 0.80 SCN9A (0.58) SCN9ACYP2C9CYP3A4CYP2D6CTSA
SCHEMBL311472 0.76 KAT6A (0.52)
SCHEMBL29393449 0.76 KAT6A (0.52)

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.