SCHEMBL4550342

SCHEMBL4550342

NCc1cnc(OCC(F)F)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.40
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CSNK2A1 P68400 5/20 0.34
SCN5A Q14524 4/20 0.33
LOX P28300 1/20 0.33
LOXL3 P58215 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
CPB2 Q96IY4 1/20 0.31

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
Hydrochloric Acid SCHEMBL2717080 0.98 SCN9A (0.39) SCN9ACYP3A4CYP2C9CSNK2A1SCN5A
SCHEMBL18266688 0.88 CSNK2A1 (0.36) SCN9ACYP3A4CYP2C9CSNK2A1SCN5A
SCHEMBL2713741 0.84 SCN9A (0.40) SCN9ACYP3A4CYP2C9SCN5ACPB2
SCHEMBL4550757 0.81 SCN9A (0.35) SCN9ALOXLOXL2
SCHEMBL21940792 0.80 SCN9A (0.41) SCN9ACYP3A4CYP2C9SCN5AHTR2A
Hydrochloric Acid SCHEMBL2715838 0.79 SCN9A (0.35) SCN9A
SCHEMBL15350541 0.79 SCN9A (0.46) SCN9A
SCHEMBL4550474 0.78 MAPT (0.34) SCN9A
SCHEMBL10290355 0.78
SCHEMBL10290353 0.78 DHFR (0.31) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 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-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN2B, SCN1B, SCN2A SCN9A 31/4885CYP3A4 2785/4885CYP2C9 2477/4885

“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.