SCHEMBL884889

SCHEMBL884889

Nc1ccccc1-c1cccc(CC(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 14/20 0.56
KCNH2 Q12809 8/20 0.56
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
BACE1 P56817 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 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
SCHEMBL2063857 0.74 KCNA5 (0.47) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL884658 0.74 KCNA5 (0.47) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL884888 0.73 CYP1A2 (0.54) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL884430 0.73 KCNA5 (0.61) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL5038329 0.72 KCNA5 (0.62) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL8775839 0.72 KCNA5 (0.48) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL221510 0.72 ALDH1A1 (0.58) KCNA5CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29450604 0.72 ALDH1A1 (0.58) KCNA5CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2062779 0.72 KCNA5 (1.00) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL885137 0.72 KCNA5 (0.78) 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 3/4885SLC6A2 382/4885

“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.