SCHEMBL711048

SCHEMBL711048

COc1ccc(CCNCc2csc(Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)n2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
PKM P14618 3/20 0.56
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 2/20 0.56
EGFR P00533 1/20 0.51
KDR P35968 1/20 0.51
CCNT1 O60563 5/20 0.49
CDK9 P50750 5/20 0.49
KDM4E B2RXH2 1/20 0.48
ALOX12 P18054 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
ALOX15 P16050 1/20 0.46
PTPN1 P18031 1/20 0.44
PTPN11 Q06124 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL711873 0.82 ALOX12 (0.58) KMT2APKMALDH1A1MEN1EGFR
SCHEMBL714055 0.80 PKM (0.54) KMT2APKMALDH1A1MEN1EGFR
SCHEMBL714319 0.79 LMNA (0.58) KMT2AALDH1A1MEN1EGFRKDR
SCHEMBL713201 0.79 PKM (0.48) KMT2APKMALDH1A1MEN1EGFR
SCHEMBL711140 0.79 RXFP1 (0.55) KMT2APKMALDH1A1MEN1EGFR
SCHEMBL711980 0.77 SCN1A (0.54) KMT2APKMALDH1A1MEN1EGFR
SCHEMBL713191 0.77 SCN3A (0.65) KMT2APKMALDH1A1MEN1EGFR
SCHEMBL710421 0.77 MEN1 (0.47) KMT2APKMALDH1A1MEN1EGFR
SCHEMBL713846 0.75 SCN1A (0.56) KMT2APKMALDH1A1MEN1EGFR
SCHEMBL713208 0.75 ADRB2 (0.57) KMT2APKMALDH1A1MEN1EGFR

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 KMT2A 1945/4885PKM 2666/4885ALDH1A1 3333/4885

“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.