SCHEMBL2884434

SCHEMBL2884434

COc1ccc(CCN2C(=O)N(N(Cc3ccncc3)C(=O)CC(C)(C)C)CC2c2ccc(C)c(C)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 20/20 0.52
KCNH2 Q12809 15/20 0.51
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
KCNA3 P22001 1/20 0.40
CACNA1D Q01668 1/20 0.40
KCNA1 Q09470 1/20 0.40
KCND3 Q9UK17 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
SCHEMBL2882422 0.77 KCNA5 (0.51) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL2879500 0.77 KCNA5 (0.69) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL3927085 0.75 KCNA5 (0.58) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL2882881 0.75 KCNA5 (0.62) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL2882065 0.74 KCNA5 (0.69) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL2879683 0.73 KCNA5 (0.64) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL2879685 0.73 KCNA5 (0.71) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL2881978 0.72 KCNA5 (0.68) KCNA5KCNH2CYP3A4CYP2C9KCNA3
Hydrochloric Acid SCHEMBL2884137 0.72 KCNA5 (0.70) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL2883313 0.72 KCNA5 (0.57) KCNA5KCNH2CYP3A4CYP2C9KCNA3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803827-B2 1-N-amino-2-imidazolidinones and derivatives thereof which are effective as Kv1.5 potassium channel inhibitors providing atrial-selective antiarrhythmic agents; 1-(aminosulfonylamino)-3-[2-(4-methoxyphenyl)ethyl]-4-(3,4-dimethylphenyl)-2-imidazolidinone WYETH LLC (US) 2010-09-28 US disclosed
US-7504517-B2 Kv1.5 potassium channel inhibitors WYETH (US) 2009-03-17 US disclosed
US-20090069342-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2009-03-12 US disclosed
US-20070299120-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2007-12-27 US 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 (2 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-20070299120-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS KCNJ2, KCNK5, KCNH2 KCNA5 5/4885KCNH2 3/4885CYP3A4 1139/4885
US-20090069342-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS KCNJ2, KCNK5, KCNH2 KCNA5 5/4885KCNH2 3/4885CYP3A4 1139/4885

“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.