SCHEMBL302950

SCHEMBL302950

CC(C)NC(=O)c1cc(N(Cc2ccccc2)S(=O)(=O)c2ccc(C#N)cc2)ccc1F

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 5/20 0.55
PGR P06401 1/20 0.55
MAPT P10636 5/20 0.50
POLB P06746 1/20 0.47
MCL1 Q07820 4/20 0.47
TAS2R14 Q9NYV8 1/20 0.45
LMNA P02545 1/20 0.44
TRPA1 O75762 1/20 0.43
BCL2L1 Q07817 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
TP53 P04637 1/20 0.43
PTGES O14684 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
SCHEMBL3380436 0.91 NR1H2 (0.45) NR3C1PGRMAPTMCL1LMNA
SCHEMBL3377911 0.91 MAPT (0.54) NR3C1MAPTMCL1BCL2L1GAA
SCHEMBL3380874 0.90 NR3C1 (0.54) NR3C1MAPTMCL1BCL2L1GAA
SCHEMBL3378995 0.85 LMNA (0.51) NR3C1PGRMAPTPOLBMCL1
SCHEMBL303293 0.85 GAA (0.63) NR3C1MAPTLMNAGAAHTT
SCHEMBL301832 0.85 LMNA (0.44) NR3C1PGRMAPTMCL1LMNA
SCHEMBL301986 0.82 NAMPT (0.51) MAPTMCL1LMNAGAAHTT
SCHEMBL303366 0.81 L3MBTL1 (0.56) MAPTPOLBLMNAGAAHTT
SCHEMBL304757 0.81 L3MBTL1 (0.50) MAPTPOLBMCL1TAS2R14GAA
SCHEMBL301844 0.79 KEAP1 (0.49) MAPTPOLBMCL1LMNAGAA

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 12 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-9073834-B2 Potassium channel blockers XENTION LIMITED (GB) 2015-07-07 US disclosed
US-20140221337-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2014-08-07 US disclosed
US-8673901-B2 Potassium channel blockers XENTION LIMITED (GB) 2014-03-18 US disclosed
US-20100087428-A1 Novel Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 US 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 (2 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 NR3C1 3992/4885PGR 2834/4885MAPT 2884/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 NR3C1 265/4885PGR 737/4885MAPT 4874/4885

“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.