SCHEMBL3376229

SCHEMBL3376229

CC(C)NC(=O)c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
PTGES O14684 1/20 0.51
ALOX5 P09917 1/20 0.51
LMNA P02545 4/20 0.50
MAPT P10636 4/20 0.50
TSHR P16473 2/20 0.50
GAA P10253 2/20 0.50
ATM Q13315 2/20 0.50
PKM P14618 1/20 0.50
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL302098 0.90 KEAP1 (0.49) ALDH1A1HPGDHTTL3MBTL1PTGES
SCHEMBL302946 0.89 DAGLA (0.50) ALDH1A1HPGDHTTL3MBTL1PTGES
SCHEMBL3378121 0.87 MAPT (0.46) ALDH1A1L3MBTL1LMNAMAPT
SCHEMBL302225 0.85 LMNA (0.60) ALDH1A1HTTPTGESLMNAMAPT
SCHEMBL303366 0.85 L3MBTL1 (0.56) ALDH1A1HPGDHTTL3MBTL1PTGES
SCHEMBL3378020 0.84 MEN1 (0.55) ALDH1A1LMNAMAPTGAAATM
SCHEMBL3376926 0.83 MAPT (0.60) ALDH1A1HTTL3MBTL1LMNAMAPT
SCHEMBL3380011 0.82 DAGLA (0.55) ALDH1A1LMNAMAPT
SCHEMBL3379839 0.82 LMNA (0.56) ALDH1A1L3MBTL1LMNAMAPT
SCHEMBL3377457 0.81 MAPT (0.40) ALDH1A1LMNAMAPT

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 10 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
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 ALDH1A1 1360/4885HPGD 3708/4885HTT 2305/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 ALDH1A1 3795/4885HPGD 3196/4885HTT 2035/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 ALDH1A1 1360/4885HPGD 3708/4885HTT 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.