SCHEMBL14564397

SCHEMBL14564397

COC(=O)c1nc(-c2cccc(-c3ccccc3C(F)(F)F)c2)c[nH]1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.52
PDK2 Q15119 1/20 0.43
SDHB P21912 2/20 0.40
SCN5A Q14524 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
TRPA1 O75762 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CFTR P13569 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
AXL P30530 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL14564398 0.85 SCN9A (0.64) SCN9APDK2SCN10ATRPA1TRPM8
SCHEMBL14564384 0.81 NR4A2 (0.49) AXLALDH1A1SMN1; SMN2
SCHEMBL7823276 0.79 PDK2 (0.57) SCN9APDK2SDHBNPC1RAB9A
SCHEMBL5440401 0.79 SCN9A (0.74) SCN9ASCN10ACFTR
SCHEMBL259469 0.79 GAA (0.51) TRPM8AXLKDM4EALDH1A1SMN1; SMN2
SCHEMBL10099708 0.75 MAPT (0.60) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3343465 0.73 NOTUM (0.50) SCN9APDK2ALDH1A1SMN1; SMN2
SCHEMBL2317784 0.70 ESR1 (0.48) NPC1ALDH1A1SMN1; SMN2
SCHEMBL21609778 0.69 NOTUM (0.57) SCN9APDK2SDHBSMN1; SMN2
SCHEMBL5934523 0.69 PDK2 (0.49) PDK2SLC6A2SLC6A4SLC6A3CFTR

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 2 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

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 70/4885PDK2 1748/4885SDHB 1515/4885

“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.