SCHEMBL302098

SCHEMBL302098

CC(C)NC(=O)c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc3c(c2)CCO3)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.49
NFE2L2 Q16236 2/20 0.49
MAPT P10636 5/20 0.48
LMNA P02545 4/20 0.48
ALDH1A1 P00352 3/20 0.47
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
MMP2 P08253 1/20 0.43
MMP13 P45452 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CTSD P07339 1/20 0.42
BACE1 P56817 1/20 0.42
BACE2 Q9Y5Z0 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL3376229 0.90 ALDH1A1 (0.53) KEAP1NFE2L2MAPTLMNAALDH1A1
SCHEMBL302946 0.87 DAGLA (0.50) MAPTLMNAALDH1A1PTGESALOX5
SCHEMBL3380011 0.87 DAGLA (0.55) MAPTLMNAALDH1A1
SCHEMBL301844 0.86 KEAP1 (0.49) KEAP1NFE2L2MAPTLMNAALDH1A1
SCHEMBL3378121 0.83 MAPT (0.46) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL302225 0.83 LMNA (0.60) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL3378020 0.82 MEN1 (0.55) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL302970 0.81 LMNA (0.59) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL3376926 0.81 MAPT (0.60) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL3379839 0.80 LMNA (0.56) MAPTLMNAALDH1A1KMT2AMEN1

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 15 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
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 KEAP1 784/4885NFE2L2 3327/4885MAPT 2884/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 KEAP1 2409/4885NFE2L2 2024/4885MAPT 4874/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 KEAP1 784/4885NFE2L2 3327/4885MAPT 2884/4885

“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.