SCHEMBL5448133

SCHEMBL5448133

NC(=O)c1ncc(-c2cccc(-c3ccccc3C(F)(F)F)c2)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 1.00
SCN10A Q9Y5Y9 1/20 0.51
PARP1 P09874 1/20 0.44
NPY5R Q15761 1/20 0.44
GSK3B P49841 1/20 0.42
SCN2A Q99250 2/20 0.41
CAMKK2 Q96RR4 1/20 0.41
TRPA1 O75762 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
S1PR1 P21453 2/20 0.39
CYP2C9 P11712 1/20 0.39
SCN5A Q14524 1/20 0.39
FFAR1 O14842 1/20 0.39

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
SCHEMBL5440401 0.85 SCN9A (0.74) SCN9ASCN10ANPY5RSCN2AS1PR1
SCHEMBL14564398 0.77 SCN9A (0.64) SCN9ASCN10APARP1CAMKK2TRPA1
SCHEMBL4488075 0.76 SCN9A (0.62) SCN9ASCN10APARP1TRPA1TRPM8
SCHEMBL30852800 0.76 SCN9A (0.59) SCN9ANPY5RGSK3BSCN2A
SCHEMBL2832477 0.74 SCN9A (0.58) SCN9ASCN10APARP1
Hydrochloric Acid SCHEMBL29833674 0.72 SCN9A (0.57) SCN9ASCN10APARP1
SCHEMBL4324382 0.72 SCN9A (0.57) SCN9ASCN10APARP1TRPA1TRPM8
Urea SCHEMBL27881390 0.70 FFAR4 (0.54) SCN9ASCN10APARP1
SCHEMBL5452193 0.69 SCN9A (0.71) SCN9ASCN10ACYP2C9
SCHEMBL4494738 0.68 SCN9A (0.64) SCN9ASCN10ATRPA1CYP2C9SCN5A

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 1 patent. 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

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 70/4885SCN10A 69/4885PARP1 4733/4885

“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.