SCHEMBL885167

SCHEMBL885167

O=C(NC1CC1)c1ccc(-c2ncccc2CC(c2cccnc2)c2cccnc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 8/20 0.51
CYP46A1 Q9Y6A2 1/20 0.50
RIPK1 Q13546 1/20 0.47
KCNH2 Q12809 3/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ROCK2 O75116 4/20 0.45
ROCK1 Q13464 2/20 0.44
SMYD3 Q9H7B4 2/20 0.42
GABRA5 P31644 1/20 0.42

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
SCHEMBL884766 0.89 KCNA5 (0.59) KCNA5KCNH2ALDH1A1L3MBTL1ROCK2
SCHEMBL884636 0.87 KCNA5 (0.61) KCNA5CYP46A1RIPK1KCNH2MEN1
SCHEMBL884747 0.82 KCNA5 (0.58) KCNA5KCNH2
SCHEMBL884603 0.81 KCNA5 (0.48) KCNA5KCNH2L3MBTL1
SCHEMBL885043 0.81 KCNA5 (0.53) KCNA5CYP46A1RIPK1KCNH2MEN1
SCHEMBL884704 0.79 KCNA5 (0.61) KCNA5KCNH2MEN1KMT2AALDH1A1
SCHEMBL884527 0.78 KCNA5 (0.66) KCNA5CYP46A1KCNH2ALDH1A1L3MBTL1
SCHEMBL884728 0.77 KCNA5 (0.74) KCNA5KCNH2SMN1; SMN2
SCHEMBL884775 0.77 KCNA5 (0.55) KCNA5KCNH2MEN1NPC1RAB9A
SCHEMBL884948 0.76 KCNA5 (0.49) KCNA5RIPK1KCNH2MEN1KMT2A

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 11/4885CYP46A1 4093/4885RIPK1 1248/4885

“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.