SCHEMBL5459832

SCHEMBL5459832

NC(=O)c1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)co1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 1.00
CYP2C9 P11712 2/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
SCN10A Q9Y5Y9 1/20 0.51

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
SCHEMBL14564400 0.84 SCN9A (0.73) SCN9ACYP2C9CYP3A4CYP2D6SCN10A
SCHEMBL5441780 0.80 SCN9A (1.00) SCN9ACYP2C9CYP3A4CYP2D6
SCHEMBL1400209 0.78 SCN9A (0.65) SCN9ACYP2C9CYP3A4CYP2D6SCN10A
SCHEMBL14564373 0.78 SCN9A (0.62) SCN9A
SCHEMBL14564390 0.78 SCN9A (1.00) SCN9ACYP2C9CYP3A4CYP2D6SCN10A
SCHEMBL4496810 0.76 SCN9A (1.00) SCN9ACYP2C9CYP3A4CYP2D6SCN10A
SCHEMBL4489218 0.75 SCN9A (0.61) SCN9ACYP2C9CYP3A4CYP2D6SCN10A
SCHEMBL14013755 0.74 SCN9A (0.61) SCN9ACYP2C9CYP3A4CYP2D6SCN10A
SCHEMBL1400166 0.73 SCN9A (0.65) SCN9ACYP2C9CYP3A4CYP2D6SCN10A
SCHEMBL8119163 0.73 SCN9A (0.55) SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.