SCHEMBL304757

SCHEMBL304757

CC(C)NC(=O)c1cc(N(Cc2ccccc2)S(=O)(=O)c2ccc3c(c2)OCO3)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
PTGES O14684 1/20 0.49
ALOX5 P09917 1/20 0.49
NPSR1 Q6W5P4 3/20 0.48
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
ALDH1A1 P00352 6/20 0.46
MAPT P10636 5/20 0.46
BMP1 P13497 2/20 0.45
POLB P06746 1/20 0.44
TSHR P16473 2/20 0.44
GAA P10253 2/20 0.44
PKM P14618 1/20 0.44
ATM Q13315 1/20 0.44
HTT P42858 2/20 0.44
HPGD P15428 1/20 0.44
TAS2R14 Q9NYV8 1/20 0.44
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
MCL1 Q07820 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
SCHEMBL303366 0.95 L3MBTL1 (0.56) L3MBTL1PTGESALOX5NPSR1KEAP1
SCHEMBL301844 0.87 KEAP1 (0.49) L3MBTL1PTGESALOX5NPSR1KEAP1
SCHEMBL303525 0.86 KMT2A (0.53) L3MBTL1MAPTPOLBTSHRPKM
SCHEMBL3377911 0.86 MAPT (0.54) L3MBTL1PTGESMAPTGAAHTT
SCHEMBL3380874 0.85 NR3C1 (0.54) PTGESKEAP1NFE2L2MAPTGAA
SCHEMBL303293 0.81 GAA (0.63) MAPTGAAHTT
SCHEMBL302950 0.81 NR3C1 (0.55) PTGESKEAP1NFE2L2MAPTPOLB
SCHEMBL3380436 0.80 NR1H2 (0.45) ALDH1A1MAPTTP53MCL1
SCHEMBL301986 0.80 NAMPT (0.51) NPSR1KEAP1NFE2L2ALDH1A1MAPT
SCHEMBL3376229 0.80 ALDH1A1 (0.53) L3MBTL1PTGESALOX5NPSR1KEAP1

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 13 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-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 (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 L3MBTL1 1040/4885PTGES 2719/4885ALOX5 4260/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 L3MBTL1 3199/4885PTGES 3121/4885ALOX5 1114/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 L3MBTL1 1040/4885PTGES 2719/4885ALOX5 4260/4885

“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.