SCHEMBL301844

SCHEMBL301844

CC(C)NC(=O)c1cc(N(Cc2ccccc2)S(=O)(=O)c2ccc3c(c2)CCO3)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.49
NFE2L2 Q16236 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 3/20 0.44
TSHR P16473 2/20 0.42
MMP2 P08253 1/20 0.42
MMP13 P45452 1/20 0.42
TP53 P04637 2/20 0.42
MCL1 Q07820 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
ALDH1A1 P00352 5/20 0.41
NPSR1 Q6W5P4 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
ATM Q13315 1/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL303366 0.91 L3MBTL1 (0.56) KEAP1NFE2L2L3MBTL1MAPTTSHR
SCHEMBL304757 0.87 L3MBTL1 (0.50) KEAP1NFE2L2L3MBTL1MAPTTSHR
SCHEMBL302098 0.86 KEAP1 (0.49) KEAP1NFE2L2L3MBTL1MAPTMMP2
SCHEMBL3377911 0.84 MAPT (0.54) L3MBTL1MAPTTP53MCL1MEN1
SCHEMBL3380874 0.83 NR3C1 (0.54) KEAP1NFE2L2MAPTMMP13TP53
SCHEMBL303525 0.83 KMT2A (0.53) L3MBTL1MAPTTSHRTP53MEN1
SCHEMBL303293 0.79 GAA (0.63) MAPTMEN1KMT2AGAAHTT
SCHEMBL302950 0.79 NR3C1 (0.55) KEAP1NFE2L2MAPTTP53MCL1
SCHEMBL3380436 0.78 NR1H2 (0.45) MAPTTP53MCL1MEN1KMT2A
SCHEMBL301986 0.78 NAMPT (0.51) KEAP1NFE2L2MAPTMMP13MCL1

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 11 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-8673901-B2 Potassium channel blockers XENTION LIMITED (GB) 2014-03-18 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
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-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 KEAP1 2409/4885NFE2L2 2024/4885L3MBTL1 3199/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 KEAP1 784/4885NFE2L2 3327/4885L3MBTL1 1040/4885

“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.