SCHEMBL713201

SCHEMBL713201

O=S(=O)(Nc1nccs1)c1ccc(Nc2nc(CNCCOc3ccccc3)cs2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SCN3A Q9NY46 3/20 0.47
SCN1A P35498 2/20 0.47
SCN5A Q14524 2/20 0.47
SCN8A Q9UQD0 2/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
EGFR P00533 1/20 0.47
KDR P35968 1/20 0.47
SCN1B Q07699 1/20 0.47
POLB P06746 2/20 0.47
CCNT1 O60563 1/20 0.46
CDK9 P50750 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL3640394 0.89 ADRB2 (0.55) PKMALDH1A1MEN1KMT2ASCN3A
SCHEMBL712533 0.88 ADRB2 (0.59) PKMALDH1A1MEN1KMT2ASCN3A
SCHEMBL710350 0.87 PKM (0.54) PKMALDH1A1MEN1KMT2ASCN3A
SCHEMBL711980 0.86 SCN1A (0.54) PKMALDH1A1MEN1KMT2ASCN3A
SCHEMBL714055 0.85 PKM (0.54) PKMALDH1A1MEN1KMT2ASCN3A
SCHEMBL713846 0.84 SCN1A (0.56) PKMALDH1A1MEN1KMT2ASCN3A
SCHEMBL714306 0.81 SCN1A (0.56) PKMALDH1A1MEN1KMT2ASCN3A
SCHEMBL711654 0.79 SCN1A (0.59) PKMALDH1A1MEN1KMT2ASCN3A
SCHEMBL711721 0.79 LMNA (0.56) PKMALDH1A1MEN1KMT2ASCN3A
SCHEMBL714319 0.79 LMNA (0.58) ALDH1A1MEN1KMT2ASCN3ASCN5A

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 2666/4885ALDH1A1 3333/4885MEN1 4426/4885

“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.