SCHEMBL884756

SCHEMBL884756

NC(=O)C1CCCN(C(=O)c2cccc(-c3ccccc3CC(c3cccnc3)c3cccnc3)c2)C1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.56
VNN1 O95497 1/20 0.51
KCNH2 Q12809 3/20 0.48
ALDH1A1 P00352 4/20 0.46
CD274 Q9NZQ7 1/20 0.43
PARP1 P09874 1/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 2/20 0.41
KLK7 P49862 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
GLA P06280 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RAB9A P51151 1/20 0.40
RHOA P61586 1/20 0.40
POLB P06746 1/20 0.40
HSP90AA1 P07900 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL884855 0.90 KCNA5 (0.60) KCNA5VNN1KCNH2HTT
SCHEMBL2063815 0.88 KCNA5 (0.66) KCNA5KCNH2ALDH1A1NPC1RAB9A
SCHEMBL2063329 0.87 KCNA5 (0.67) KCNA5KCNH2ALDH1A1NPC1RAB9A
SCHEMBL2063710 0.87 KCNA5 (0.67) KCNA5KCNH2ALDH1A1NPC1RAB9A
SCHEMBL2064073 0.82 VNN1 (0.47) KCNA5VNN1KCNH2ALDH1A1HTT
SCHEMBL884521 0.81 KCNA5 (0.67) KCNA5KCNH2KDM4EPKM
SCHEMBL884651 0.81 KCNA5 (0.64) KCNA5KCNH2RAB9A
SCHEMBL884970 0.79 KCNA5 (0.75) KCNA5KCNH2
SCHEMBL2063080 0.78 KCNA5 (0.60) KCNA5KCNH2RAB9A
SCHEMBL884739 0.77 KCNA5 (0.78) KCNA5KCNH2ALDH1A1

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
EP-1940406-A2 POTASSIUM CHANNEL INHIBITORS Merck and Co., Inc. (US) 2008-07-09 EP disclosed
WO-2007050348-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-05-03 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-20090233897-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 KCNA5 11/4885VNN1 2972/4885KCNH2 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.