SCHEMBL712533

SCHEMBL712533

O=S(=O)(Nc1nccs1)c1ccc(Nc2nc(CCCOc3ccccc3)cs2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.59
ADRB1 P08588 1/20 0.59
ADRB3 P13945 1/20 0.59
PKM P14618 5/20 0.51
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
EGFR P00533 1/20 0.49
KDR P35968 1/20 0.49
SCN3A Q9NY46 2/20 0.49
SCN1A P35498 2/20 0.49
SCN5A Q14524 2/20 0.49
SCN8A Q9UQD0 2/20 0.49
SCN9A Q15858 2/20 0.49
SCN4A P35499 1/20 0.49
SCN2A Q99250 1/20 0.49

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 0.95 ADRB2 (0.55) ADRB2ADRB1ADRB3PKMALDH1A1
SCHEMBL711721 0.91 LMNA (0.56) ADRB2ADRB1ADRB3PKMALDH1A1
SCHEMBL710350 0.89 PKM (0.54) ADRB2ADRB1ADRB3PKMALDH1A1
SCHEMBL713201 0.88 PKM (0.48) ADRB2ADRB1ADRB3PKMALDH1A1
SCHEMBL713208 0.86 ADRB2 (0.57) ADRB2ADRB1ADRB3PKMALDH1A1
SCHEMBL711654 0.82 SCN1A (0.59) ADRB2ADRB1ADRB3PKMALDH1A1
SCHEMBL714055 0.80 PKM (0.54) ADRB2ADRB1ADRB3PKMALDH1A1
SCHEMBL713129 0.80 LMNA (0.60) PKMALDH1A1MEN1KMT2AEGFR
SCHEMBL714306 0.79 SCN1A (0.56) ADRB2ADRB1ADRB3PKMALDH1A1
SCHEMBL713846 0.79 SCN1A (0.56) ADRB2ADRB1ADRB3PKMALDH1A1

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 ADRB2 2194/4885ADRB1 2625/4885ADRB3 2473/4885

“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.