SCHEMBL884766

SCHEMBL884766

O=C(NC1CC1)c1cccc(-c2ncccc2CC(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 11/20 0.59
KCNH2 Q12809 4/20 0.53
SMO Q99835 1/20 0.46
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ROCK2 O75116 3/20 0.46
ROCK1 Q13464 2/20 0.46
SUCNR1 Q9BXA5 2/20 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
SCHEMBL885167 0.89 KCNA5 (0.51) KCNA5KCNH2ALDH1A1L3MBTL1ROCK2
SCHEMBL884527 0.87 KCNA5 (0.66) KCNA5KCNH2SMOALDH1A1L3MBTL1
SCHEMBL885105 0.82 KCNA5 (0.59) KCNA5KCNH2SMOALDH1A1L3MBTL1
SCHEMBL884504 0.80 KCNA5 (0.76) KCNA5KCNH2
SCHEMBL2063585 0.78 KCNA5 (0.62) KCNA5KCNH2ALDH1A1
SCHEMBL884636 0.78 KCNA5 (0.61) KCNA5KCNH2ALDH1A1L3MBTL1ROCK2
SCHEMBL884947 0.77 KCNA5 (0.57) KCNA5KCNH2L3MBTL1
SCHEMBL885774 0.76 KCNA5 (0.63) KCNA5KCNH2
SCHEMBL2062510 0.75 KCNA5 (0.57) KCNA5KCNH2SMOALDH1A1L3MBTL1
SCHEMBL884728 0.75 KCNA5 (0.74) KCNA5KCNH2

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 7 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
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 11/4885KCNH2 3/4885SMO 2275/4885

“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.