SCHEMBL884636

SCHEMBL884636

O=C(NC1CC1)c1ccc(-c2ccccc2CC(c2cccnc2)c2cccnc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.61
KCNH2 Q12809 3/20 0.61
CYP46A1 Q9Y6A2 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ROCK2 O75116 6/20 0.48
SMYD3 Q9H7B4 2/20 0.46
ROCK1 Q13464 3/20 0.45
RIPK1 Q13546 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 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
SCHEMBL884527 0.89 KCNA5 (0.66) KCNA5KCNH2CYP46A1ALDH1A1L3MBTL1
SCHEMBL885043 0.87 KCNA5 (0.53) KCNA5KCNH2CYP46A1SMN1; SMN2MEN1
SCHEMBL885167 0.87 KCNA5 (0.51) KCNA5KCNH2CYP46A1SMN1; SMN2MEN1
SCHEMBL884571 0.85 KCNA5 (0.64) KCNA5KCNH2SMN1; SMN2MEN1NPC1
SCHEMBL884646 0.81 KCNA5 (0.71) KCNA5KCNH2KMT2A
SCHEMBL884766 0.78 KCNA5 (0.59) KCNA5KCNH2ALDH1A1L3MBTL1ROCK2
SCHEMBL885105 0.78 KCNA5 (0.59) KCNA5KCNH2CYP46A1RAB9AALDH1A1
SCHEMBL2062779 0.78 KCNA5 (1.00) KCNA5KCNH2KMT2ATSHR
SCHEMBL885074 0.77 KCNA5 (0.81) KCNA5KCNH2SMN1; SMN2KMT2A
SCHEMBL2063707 0.77 KCNA5 (1.00) KCNA5KCNH2SMN1; SMN2KMT2ATSHR

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 3/4885CYP46A1 4093/4885

“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.