SCHEMBL713743

SCHEMBL713743

CC(C)(C)c1cc(Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)n(C(C)(C)C)n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
PKM P14618 6/20 0.51
PPIA P62937 1/20 0.51
ALDH1A1 P00352 6/20 0.49
LMNA P02545 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP2C9 P11712 1/20 0.49
EDNRA P25101 1/20 0.49
SLC6A4 P31645 1/20 0.49
ADRA1A P35348 1/20 0.49
PRMT6 Q96LA8 1/20 0.49
ATM Q13315 1/20 0.48
SCN9A Q15858 1/20 0.47
CCNT1 O60563 2/20 0.47
CDK9 P50750 2/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL714602 0.88 KMT2A (0.53) KMT2AMEN1PKMPPIAALDH1A1
SCHEMBL712431 0.81 SCN9A (0.66) KMT2AMEN1PKMPPIAALDH1A1
SCHEMBL712664 0.80 SCN9A (0.55) KMT2AMEN1PPIAALDH1A1LMNA
SCHEMBL711578 0.78 ALDH1A1 (0.54) KMT2AMEN1PKMPPIAALDH1A1
SCHEMBL712620 0.77 KMT2A (0.57) KMT2AMEN1PKMPPIAALDH1A1
SCHEMBL712666 0.77 KMT2A (0.49) KMT2AMEN1PKMPPIAALDH1A1
SCHEMBL712463 0.77 LMNA (0.54) KMT2AMEN1PKMPPIAALDH1A1
SCHEMBL713142 0.76 SCN9A (0.51) KMT2AMEN1SCN9A
SCHEMBL712528 0.76 SCN9A (0.56) KMT2AMEN1SCN9A
SCHEMBL713283 0.75 KMT2A (0.52) KMT2AMEN1PKMPPIAALDH1A1

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 10 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
US-8124610-B2 Sodium channel inhibitors ICAGEN INC. (US) 2012-02-28 US disclosed
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
US-20090023740-A1 SODIUM CHANNEL INHIBITORS ICAGEN (US) 2009-01-22 US 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
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 1945/4885MEN1 4426/4885PKM 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.