SCHEMBL303671

SCHEMBL303671

CC(C)NC(=O)c1cc(N(Cc2ccccc2)S(=O)(=O)c2ccn(C)n2)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
TP53 P04637 3/20 0.39
TRPA1 O75762 1/20 0.39
MCL1 Q07820 4/20 0.39
POLB P06746 1/20 0.38
NAMPT P43490 1/20 0.38
LMNA P02545 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PTGES O14684 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NTRK1 P04629 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
BCL2L1 Q07817 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL303136 0.92 HTT (0.38) MAPTTP53TRPA1NAMPTLMNA
SCHEMBL18487075 0.85 NAMPT (0.42) TP53NAMPTLMNAPTGESMEN1
SCHEMBL3381042 0.85 MEN1 (0.48) MAPTTP53MCL1NAMPTLMNA
SCHEMBL302565 0.84 MAPT (0.45) MAPTTRPA1LMNAPTGESMEN1
SCHEMBL312209 0.84 AVPR2 (0.41) MAPTTP53MCL1NAMPTLMNA
SCHEMBL3377911 0.84 MAPT (0.54) MAPTTP53MCL1PTGESMEN1
SCHEMBL303235 0.82 MAPT (0.41) MAPTTP53MCL1POLBNAMPT
SCHEMBL18487096 0.82 MEN1 (0.46) MAPTMCL1PTGESMEN1KMT2A
SCHEMBL3380874 0.81 NR3C1 (0.54) MAPTTP53MCL1PTGESMEN1
SCHEMBL2214984 0.80 KMT2A (0.38) MAPTTP53LMNAMEN1KMT2A

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 MAPT 4874/4885TP53 4871/4885TRPA1 274/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 MAPT 2884/4885TP53 4632/4885TRPA1 88/4885

“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.