SCHEMBL3241841

SCHEMBL3241841

O=C(NCc1cccc(Cl)c1)c1ccc(C(=O)N2CCCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.59
NPC1 O15118 2/20 0.57
RAB9A P51151 1/20 0.57
TP53 P04637 2/20 0.54
IDO1 P14902 2/20 0.53
KCNH2 Q12809 1/20 0.53
MAPT P10636 2/20 0.53
ALDH1A1 P00352 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KLKB1 P03952 1/20 0.53
KLK1 P06870 1/20 0.53
CNR1 P21554 1/20 0.52
ROCK2 O75116 1/20 0.52

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
SCHEMBL3241843 0.85 NPC1 (0.63) HSD11B1NPC1RAB9ATP53MAPT
SCHEMBL3259879 0.85 MAPT (0.70) HSD11B1NPC1RAB9AMAPTALDH1A1
SCHEMBL3237671 0.84 HPGD (0.59) HSD11B1MAPTALDH1A1L3MBTL1KLKB1
SCHEMBL3242896 0.83 MAPT (0.54) HSD11B1NPC1RAB9AMAPTALDH1A1
SCHEMBL3808704 0.81 HPGD (0.64) NPC1RAB9AMAPTALDH1A1L3MBTL1
SCHEMBL6737352 0.80 ADORA2A (0.58) HSD11B1NPC1RAB9ATP53
SCHEMBL6570911 0.79 HDAC1 (0.76) NPC1MAPT
SCHEMBL3461102 0.79 NPC1 (0.70) NPC1RAB9ATP53ALDH1A1
SCHEMBL19630494 0.78 NPC1 (0.61) NPC1MAPT
SCHEMBL1569143 0.78 NPC1 (0.73) NPC1L3MBTL1ROCK2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344456-B1 NOVEL POTASSIUM CHANNEL BLOCKER JAPAN TOBACCO INC (JP) 2018-07-25 EP claimed
US-8258138-B2 Potassium channel blockers XENTION LIMITED (GB) 2012-09-04 US claimed
US-20100087437-A1 Novel Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 US claimed
WO-2010023445-A1 NOVEL POTASSIUM CHANNEL BLOCKER XENTION LIMITED (GB) 2010-03-04 WO claimed
EP-2344456-B1 NOVEL POTASSIUM CHANNEL BLOCKER JAPAN TOBACCO INC (JP) 2018-07-25 EP disclosed
US-8258138-B2 Potassium channel blockers XENTION LIMITED (GB) 2012-09-04 US disclosed
US-20100087437-A1 Novel Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 US disclosed
WO-2010023445-A1 NOVEL POTASSIUM CHANNEL BLOCKER XENTION LIMITED (GB) 2010-03-04 WO 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 (1 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-20100087437-A1 Novel Potassium Channel Blockers KCNB1, KCNJ2, KCNJ11 HSD11B1 2103/4885NPC1 474/4885RAB9A 2125/4885

“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.