SCHEMBL4677559

SCHEMBL4677559

CC(Cl)(Cl)C(NC(=O)c1ccc(F)cc1)NC(=NC#N)Nc1ccc(Cl)nc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 19/20 0.67
KCNQ3 O43525 1/20 0.53
KCNQ2 O43526 1/20 0.53
KCNE1 P15382 1/20 0.53
KCNQ1 P51787 1/20 0.53
BACE1 P56817 1/20 0.53

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
SCHEMBL4677557 1.00 KCNJ11 (0.67) KCNJ11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL4256440 0.93 KCNJ11 (0.67) KCNJ11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL4256437 0.93 KCNJ11 (0.67) KCNJ11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL13949266 0.93 KCNJ11 (0.67) KCNJ11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL4682421 0.93 KCNJ11 (0.68) KCNJ11
SCHEMBL4679958 0.93 KCNJ11 (0.68) KCNJ11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL4679961 0.93 KCNJ11 (0.68) KCNJ11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL4682420 0.93 KCNJ11 (0.68) KCNJ11
SCHEMBL4679738 0.93 KCNJ11 (0.67) KCNJ11
SCHEMBL4679743 0.93 KCNJ11 (0.67) KCNJ11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392655-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2008-07-16 EP claimed
EP-1392655-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2004-03-03 EP claimed
US-6645968-B2 E.g., N-(1-((anilinocarbonyl)amino)-2,2,2-trichloroethyl)-4-methyl-benzamide; antiepileptic, -ischemic and cardiotonic agents; sexual, eating and urogenital disorders; asthma; migraines; ABBOTT LABORATORIES 2003-11-11 US claimed
WO-2002062762-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO claimed
US-20020028836-A1 Potassium channel openers ABBVIE INC. 2002-03-07 US claimed
EP-1392655-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2008-07-16 EP disclosed
EP-1392655-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2004-03-03 EP disclosed
US-6645968-B2 E.g., N-(1-((anilinocarbonyl)amino)-2,2,2-trichloroethyl)-4-methyl-benzamide; antiepileptic, -ischemic and cardiotonic agents; sexual, eating and urogenital disorders; asthma; migraines; ABBOTT LABORATORIES 2003-11-11 US disclosed
WO-2002062762-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO disclosed
US-20020028836-A1 Potassium channel openers ABBVIE INC. 2002-03-07 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 (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-20020028836-A1 Potassium channel openers KCNJ2, KCNJ11, KCNJ1 KCNJ11 2/4885KCNQ3 25/4885KCNQ2 15/4885

“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.