SCHEMBL303366

SCHEMBL303366

CC(C)NC(=O)c1cc(N(Cc2ccccc2)S(=O)(=O)c2ccc3c(c2)OCCO3)ccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
ALDH1A1 P00352 8/20 0.51
HTT P42858 2/20 0.51
HPGD P15428 1/20 0.51
NPSR1 Q6W5P4 2/20 0.51
POLB P06746 1/20 0.51
GAA P10253 4/20 0.50
TSHR P16473 2/20 0.50
ATM Q13315 2/20 0.50
PKM P14618 1/20 0.50
PTGES O14684 1/20 0.49
ALOX5 P09917 1/20 0.49
MAPT P10636 4/20 0.47
LMNA P02545 2/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL304757 0.95 L3MBTL1 (0.50) L3MBTL1ALDH1A1HTTHPGDNPSR1
SCHEMBL301844 0.91 KEAP1 (0.49) L3MBTL1ALDH1A1HTTHPGDNPSR1
SCHEMBL3377911 0.86 MAPT (0.54) L3MBTL1HTTGAAPTGESMAPT
SCHEMBL3380874 0.85 NR3C1 (0.54) HTTGAAPTGESMAPTKEAP1
SCHEMBL3376229 0.85 ALDH1A1 (0.53) L3MBTL1ALDH1A1HTTHPGDNPSR1
SCHEMBL303525 0.85 KMT2A (0.53) L3MBTL1POLBTSHRATMPKM
SCHEMBL303293 0.81 GAA (0.63) HTTGAAMAPTLMNA
SCHEMBL302950 0.81 NR3C1 (0.55) HTTPOLBGAAPTGESMAPT
SCHEMBL3380436 0.80 NR1H2 (0.45) ALDH1A1MAPTLMNA
SCHEMBL301986 0.80 NAMPT (0.51) ALDH1A1HTTNPSR1GAAMAPT

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 1040/4885ALDH1A1 1360/4885HTT 2305/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 L3MBTL1 3199/4885ALDH1A1 3795/4885HTT 2035/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 L3MBTL1 1040/4885ALDH1A1 1360/4885HTT 2305/4885

“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.