SCHEMBL19686203

SCHEMBL19686203

NC(COc1ccc(C(F)(F)F)nc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SCN4A P35499 9/20 0.57
▸ TACR1 P25103 3/20 0.45
▸ CACNA1F O60840 1/20 0.45
▸ CACNA1D Q01668 1/20 0.45
▸ CACNA1S Q13698 1/20 0.45
▸ CACNA1C Q13936 1/20 0.45
▸ MRGPRX4 Q96LA9 1/20 0.44
▸ AKT1 P31749 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ TRPV4 Q9HBA0 1/20 0.41
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40

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
SCHEMBL19686722 0.79 SCN4A (0.55) SCN4ATACR1CACNA1FCACNA1DCACNA1S
SCHEMBL19686206 0.78 SCN4A (0.62) SCN4ATACR1AKT1
SCHEMBL19686204 0.75 SCN4A (0.54) SCN4ATACR1CACNA1FCACNA1DCACNA1S
SCHEMBL19668648 0.75 TACR1 (0.67) SCN4ATACR1CACNA1FCACNA1DCACNA1S
SCHEMBL23406075 0.74 SCN4A (0.57) SCN4AAKT1
SCHEMBL29743841 0.74 SCN4A (0.57) SCN4AAKT1
SCHEMBL23406078 0.74 SCN4A (0.57) SCN4AAKT1
SCHEMBL4345367 0.74 SCN4A (1.00) SCN4ATACR1
SCHEMBL12847267 0.74 SCN4A (1.00) SCN4ATACR1
SCHEMBL19686108 0.73 SCN4A (0.69) SCN4AAKT1CHRNB2CHRNA4

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-20190270696-A1 COMPOUNDS AS INHIBITORS OF SODIUM CHANNELS HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2019-09-05 — — US disclosed
WO-2017210371-A2 COMPOUNDS AS INHIBITORS OF SODIUM CHANNELS HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2017-12-07 — — 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-20190270696-A1 COMPOUNDS AS INHIBITORS OF SODIUM CHANNELS SCN1B, CACNA1E, SCN2B SCN4A 48/4885TACR1 174/4885CACNA1F 18/4885

“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.

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