SCHEMBL303674

SCHEMBL303674

CCC(CO)NC(=O)c1cc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2cccc(C#N)c2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.44
CNR1 P21554 8/20 0.43
CNR2 P34972 8/20 0.43
NR1H2 P55055 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KCNA5 P22460 2/20 0.40
KCNH2 Q12809 1/20 0.40
RORC P51449 1/20 0.39
KAT6A Q92794 1/20 0.39
TRPA1 O75762 1/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3376406 0.95 SIRT2 (0.44) SIRT2CNR1CNR2NR1H2MEN1
SCHEMBL303335 0.91 NR1H2 (0.45) SIRT2CNR1CNR2NR1H2MEN1
SCHEMBL302683 0.86 KCNA5 (0.39) SIRT2CNR1CNR2NR1H2MEN1
SCHEMBL302783 0.85 SIRT2 (0.45) SIRT2CNR1CNR2NR1H2MEN1
SCHEMBL303336 0.84 NR1H2 (0.45) SIRT2CNR1CNR2NR1H2MEN1
SCHEMBL2186792 0.84 SIRT2 (0.45) SIRT2CNR1CNR2NR1H2MEN1
SCHEMBL3377129 0.83 MEN1 (0.55) SIRT2CNR1CNR2NR1H2MEN1
SCHEMBL2322870 0.83 MEN1 (0.42) SIRT2CNR1CNR2NR1H2MEN1
SCHEMBL3380436 0.83 NR1H2 (0.45) NR1H2MEN1KMT2ARORCKAT6A
SCHEMBL3380912 0.83 SIRT2 (0.45) SIRT2CNR1CNR2NR1H2MEN1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342177-B1 NOVEL POTASSIUM CHANNEL BLOCKERS JAPAN TOBACCO INC (JP) 2017-02-15 EP claimed
US-9073834-B2 Potassium channel blockers XENTION LIMITED (GB) 2015-07-07 US claimed
US-20140221337-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2014-08-07 US claimed
JP-2012500836-A 2012-01-12 JP claimed
EP-2342177-A1 NOVEL POTASSIUM CHANNEL BLOCKERS Xention Limited (GB) 2011-07-13 EP claimed
US-20100087428-A1 Novel Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 US claimed
WO-2010023448-A1 NOVEL POTASSIUM CHANNEL BLOCKERS XENTION LIMITED (GB) 2010-03-04 WO claimed
EP-2342177-B1 NOVEL POTASSIUM CHANNEL BLOCKERS JAPAN TOBACCO INC (JP) 2017-02-15 EP disclosed
US-9447033-B2 Potassium channel blockers JAPAN TOBACCO INC. (JP) 2016-09-20 US disclosed
US-20150259282-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2015-09-17 US disclosed
US-8673901-B2 Potassium channel blockers XENTION LIMITED (GB) 2014-03-18 US disclosed
EP-2342177-A1 NOVEL POTASSIUM CHANNEL BLOCKERS Xention Limited (GB) 2011-07-13 EP disclosed
US-20100087428-A1 Novel Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 US disclosed
WO-2010023448-A1 NOVEL POTASSIUM CHANNEL BLOCKERS XENTION LIMITED (GB) 2010-03-04 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 (3 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-20140221337-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 SIRT2 1282/4885CNR1 403/4885CNR2 678/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 SIRT2 1937/4885CNR1 116/4885CNR2 105/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 SIRT2 1282/4885CNR1 403/4885CNR2 678/4885

“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.