SCHEMBL712249

SCHEMBL712249

CN(CCc1ccncc1)Cc1csc(Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.49
SCN3A Q9NY46 3/20 0.46
PKM P14618 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 4/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
RECQL P46063 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ATM Q13315 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
EGFR P00533 1/20 0.42
KDR P35968 1/20 0.42
SCN1A P35498 1/20 0.42
SCN1B Q07699 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN8A Q9UQD0 1/20 0.42

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
SCHEMBL714732 0.93 PKM (0.54) SCN3APKMTDP1MEN1KMT2A
SCHEMBL712098 0.81 PKM (0.52) PKMTDP1MEN1KMT2AALDH1A1
SCHEMBL713216 0.78 SCN8A (0.56) SCN3APKMTDP1MEN1KMT2A
SCHEMBL713208 0.77 ADRB2 (0.57) SCN3APKMTDP1MEN1KMT2A
SCHEMBL711140 0.76 RXFP1 (0.55) NAMPTSCN3APKMTDP1MEN1
SCHEMBL712663 0.75 LMNA (0.62) SCN3ATDP1MEN1KMT2AALDH1A1
SCHEMBL711626 0.74 ALDH1A1 (0.60) PKMTDP1MEN1KMT2AALDH1A1
SCHEMBL713191 0.74 SCN3A (0.65) NAMPTSCN3APKMTDP1MEN1
SCHEMBL3681077 0.74 MEN1 (0.54) PKMTDP1MEN1KMT2AALDH1A1
SCHEMBL714055 0.74 PKM (0.54) NAMPTSCN3APKMMEN1KMT2A

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 NAMPT 687/4885SCN3A 7/4885PKM 2666/4885

“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.