SCHEMBL711689

SCHEMBL711689

COc1ccccc1-n1nc(C(C)(C)C)cc1Nc1ccc(S(=O)(=O)Nc2nccs2)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.54
CCNT1 O60563 3/20 0.45
CDK9 P50750 3/20 0.45
SCN3A Q9NY46 1/20 0.44
SCN1A P35498 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN8A Q9UQD0 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL712524 0.90 SCN9A (0.56) SCN9ACCNT1CDK9SCN3ASCN1A
SCHEMBL711153 0.87 SCN9A (0.52) SCN9ASCN3ASCN1ASCN5ASCN8A
SCHEMBL713142 0.82 SCN9A (0.51) SCN9ASCN3ASCN1ASCN5ASCN8A
SCHEMBL711823 0.81 SCN9A (0.57) SCN9ASCN3ASCN1ASCN5ASCN8A
SCHEMBL713776 0.80 SCN9A (0.56) SCN9ASCN3ASCN1ASCN5ASCN8A
SCHEMBL711983 0.79 SCN9A (0.62) SCN9ACCNT1CDK9SCN1ASCN5A
SCHEMBL710250 0.79 SCN9A (0.53) SCN9ASCN3ASCN1ASCN5ASCN8A
SCHEMBL713744 0.79 SCN9A (0.55) SCN9ASCN1ASCN5ASCN8A
SCHEMBL712055 0.77 SCN9A (0.49) SCN9ASCN3ASCN1ASCN5ASCN8A
SCHEMBL710732 0.76 SCN9A (0.63) SCN9ASCN3ASCN1ASCN5ASCN8A

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-8124610-B2 Sodium channel inhibitors ICAGEN INC. (US) 2012-02-28 US claimed
US-8124610-B2 Sodium channel inhibitors ICAGEN INC. (US) 2012-02-28 US disclosed
US-20090023740-A1 SODIUM CHANNEL INHIBITORS ICAGEN (US) 2009-01-22 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-20090023740-A1 SODIUM CHANNEL INHIBITORS TRPV1, SCN1A, SCN2A SCN9A 17/4885CCNT1 3878/4885CDK9 2777/4885

“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.