SCHEMBL302132

SCHEMBL302132

O=C(NCCc1ccccc1)c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
RAB9A P51151 4/20 0.65
NPC1 O15118 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
TP53 P04637 1/20 0.65
LMNA P02545 3/20 0.60
MCHR1 Q99705 1/20 0.58
MAPT P10636 5/20 0.57
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
MEN1 O00255 3/20 0.55

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
SCHEMBL3380454 0.93 ALDH1A1 (0.58) ALDH1A1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL2185822 0.92 RAB9A (0.59) ALDH1A1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL3380826 0.91 LMNA (0.60) ALDH1A1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL3377521 0.90 LMNA (0.59) ALDH1A1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL3379800 0.89 LMNA (0.58) ALDH1A1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL2186493 0.88 ALDH1A1 (0.62) ALDH1A1LMNAMAPTHDAC2HDAC8
SCHEMBL3378933 0.88 MAPT (0.59) ALDH1A1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL3377290 0.88 LMNA (0.57) ALDH1A1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL3376241 0.87 LMNA (0.61) ALDH1A1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL3379886 0.85 LMNA (0.59) ALDH1A1LMNAMAPTMEN1KMT2A

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 ALDH1A1 1360/4885RAB9A 1923/4885NPC1 628/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 ALDH1A1 3795/4885RAB9A 3852/4885NPC1 905/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 ALDH1A1 1360/4885RAB9A 1923/4885NPC1 628/4885

“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.