SCHEMBL711574

SCHEMBL711574

O=S(=O)(Nc1nccs1)c1ccc(Nc2nccc(OCC(c3ccccc3)c3ccccc3)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 5/20 0.59
CDK9 P50750 5/20 0.59
SCN1A P35498 2/20 0.56
SCN5A Q14524 2/20 0.56
SCN8A Q9UQD0 2/20 0.56
SCN1B Q07699 1/20 0.56
IKBKB O14920 1/20 0.54
SCN3A Q9NY46 2/20 0.54
SCN4A P35499 1/20 0.54
SCN9A Q15858 1/20 0.54
SCN2A Q99250 1/20 0.54
SCN10A Q9Y5Y9 1/20 0.54
EGFR P00533 1/20 0.49
KDR P35968 1/20 0.49
PIK3R1 P27986 1/20 0.49
PIK3CA P42336 1/20 0.49
MTOR P42345 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL712458 0.87 CCNT1 (0.61) CCNT1CDK9SCN1ASCN5ASCN8A
SCHEMBL713573 0.82 CCNT1 (0.70) CCNT1CDK9IKBKBEGFRKDR
SCHEMBL711709 0.81 CCNT1 (0.61) CCNT1CDK9SCN1ASCN5ASCN8A
SCHEMBL712626 0.79 CCNA2 (0.70) CCNT1CDK9SCN1ASCN8AIKBKB
SCHEMBL713988 0.78 ALDH1A1 (0.64) CCNT1CDK9SCN1ASCN5ASCN8A
SCHEMBL713138 0.77 SCN3A (0.60) CCNT1CDK9IKBKBSCN3ASCN9A
SCHEMBL711654 0.76 SCN1A (0.59) CCNT1CDK9SCN1ASCN5ASCN8A
SCHEMBL4146308 0.75 CCNT1 (0.66) CCNT1CDK9IKBKBEGFRKDR
SCHEMBL714725 0.74 SCN8A (0.60) CCNT1CDK9SCN1ASCN5ASCN8A
SCHEMBL13154433 0.74 SCN1A (0.62) SCN1ASCN5ASCN8ASCN1BSCN3A

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 5 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
EP-2173743-A2 SODIUM CHANNEL INHIBITORS Icagen, Inc. (US) 2010-04-14 EP disclosed
US-20090023740-A1 SODIUM CHANNEL INHIBITORS ICAGEN (US) 2009-01-22 US disclosed
WO-2009012242-A2 SODIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 2009-01-22 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-20090023740-A1 SODIUM CHANNEL INHIBITORS TRPV1, SCN1A, SCN2A CCNT1 3878/4885CDK9 2777/4885SCN1A 2/4885

“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.