SCHEMBL714055

SCHEMBL714055

O=S(=O)(Nc1nccs1)c1ccc(Nc2nc(CNCCCCc3ccccc3)cs2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.54
ADRB2 P07550 1/20 0.53
ADRB1 P08588 1/20 0.53
ADRB3 P13945 1/20 0.53
SCN3A Q9NY46 6/20 0.51
EGFR P00533 1/20 0.47
KDR P35968 1/20 0.47
SCN5A Q14524 3/20 0.46
SCN1A P35498 2/20 0.46
SCN8A Q9UQD0 2/20 0.46
SCN1B Q07699 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
NAMPT P43490 1/20 0.45
SCN9A Q15858 2/20 0.44
SCN4A P35499 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL711980 0.85 SCN1A (0.54) PKMADRB2ADRB1ADRB3SCN3A
SCHEMBL713201 0.85 PKM (0.48) PKMADRB2ADRB1ADRB3SCN3A
SCHEMBL713846 0.83 SCN1A (0.56) PKMADRB2ADRB1ADRB3SCN3A
SCHEMBL714732 0.81 PKM (0.54) PKMADRB2ADRB1ADRB3SCN3A
SCHEMBL714319 0.80 LMNA (0.58) SCN3AEGFRKDRSCN5AMEN1
SCHEMBL712533 0.80 ADRB2 (0.59) PKMADRB2ADRB1ADRB3SCN3A
SCHEMBL714306 0.80 SCN1A (0.56) PKMADRB2ADRB1ADRB3SCN3A
SCHEMBL711048 0.80 KMT2A (0.56) PKMEGFRKDRMEN1KMT2A
SCHEMBL713208 0.79 ADRB2 (0.57) PKMADRB2ADRB1ADRB3SCN3A
SCHEMBL3640394 0.79 ADRB2 (0.55) PKMADRB2ADRB1ADRB3SCN3A

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 PKM 2666/4885ADRB2 2194/4885ADRB1 2625/4885

“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.