SCHEMBL3380436

SCHEMBL3380436

CC(C)NC(=O)c1cc(N(Cc2ccccc2)S(=O)(=O)c2cccc(C#N)c2)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.45
KAT6A Q92794 1/20 0.45
MAPT P10636 2/20 0.44
PGR P06401 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NR3C1 P04150 2/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
RORC P51449 1/20 0.43
TP53 P04637 2/20 0.42
MCL1 Q07820 2/20 0.42
RXFP1 Q9HBX9 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
SCHEMBL301832 0.94 LMNA (0.44) NR1H2KAT6AMAPTPGRMEN1
SCHEMBL302950 0.91 NR3C1 (0.55) MAPTPGRNR3C1LMNATP53
SCHEMBL3377911 0.89 MAPT (0.54) MAPTMEN1KMT2ANR3C1RORC
SCHEMBL303335 0.86 NR1H2 (0.45) NR1H2KAT6AMEN1KMT2ARORC
SCHEMBL3380874 0.84 NR3C1 (0.54) MAPTMEN1KMT2ANR3C1TP53
SCHEMBL3378995 0.84 LMNA (0.51) NR1H2KAT6AMAPTPGRMEN1
SCHEMBL3376406 0.84 SIRT2 (0.44) NR1H2KAT6AMEN1KMT2ANR3C1
SCHEMBL303674 0.83 SIRT2 (0.44) NR1H2KAT6AMEN1KMT2ARORC
SCHEMBL303336 0.82 NR1H2 (0.45) NR1H2MEN1KMT2ARORC
SCHEMBL301986 0.82 NAMPT (0.51) MAPTLMNAALDH1A1MCL1

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-9073834-B2 Potassium channel blockers XENTION LIMITED (GB) 2015-07-07 US claimed
US-20140221337-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2014-08-07 US claimed
US-20100087428-A1 Novel Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 US 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 NR1H2 1031/4885KAT6A 1528/4885MAPT 2884/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 NR1H2 60/4885KAT6A 748/4885MAPT 4874/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 NR1H2 1031/4885KAT6A 1528/4885MAPT 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.