SCHEMBL884491

SCHEMBL884491

O=C(Nc1ncccc1CC(c1cccnc1)c1cccnc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 8/20 0.52
NAMPT P43490 4/20 0.50
KCNH2 Q12809 3/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
EPHX2 P34913 2/20 0.47
HTT P42858 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KCNK3 O14649 1/20 0.46
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
TMIGD3 P0DMS9 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43

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
SCHEMBL884593 0.84 NPC1 (0.52) KCNA5NAMPTKCNH2NPC1RAB9A
SCHEMBL884875 0.78 KCNA5 (0.56) KCNA5KCNH2CYP2C9CYP2C19
SCHEMBL884517 0.78 KCNA5 (0.52) KCNA5NAMPTKCNH2NPC1RAB9A
SCHEMBL884697 0.77 KCNA5 (0.47) KCNA5KCNH2HTTLMNA
SCHEMBL23566407 0.77 HTT (0.63) NPC1RAB9AHTTKCNK3GAA
SCHEMBL884819 0.76 KCNA5 (0.53) KCNA5KCNH2HTT
SCHEMBL2063011 0.76 KCNA5 (0.65) KCNA5KCNH2NPC1RAB9AADRB2
SCHEMBL884975 0.76 KCNA5 (0.52) KCNA5KCNH2EPHX2CYP2C9CYP2C19
SCHEMBL884558 0.75 KCNA5 (0.51) KCNA5KCNH2EPHX2LMNA
SCHEMBL14635929 0.75 HTT (0.60) NPC1RAB9AHTTGAAADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 US claimed
EP-1940406-A2 POTASSIUM CHANNEL INHIBITORS Merck and Co., Inc. (US) 2008-07-09 EP claimed
WO-2007050348-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO claimed
US-8148535-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-04-03 US disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 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 (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-20090233897-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 KCNA5 11/4885NAMPT 1389/4885KCNH2 3/4885

“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.