SCHEMBL5215010

SCHEMBL5215010

CC(C)(C)C(NC(=O)c1ccc(Cl)cc1)NC(=NC#N)Nc1cnc(Br)cc1F

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 16/20 0.44
ABCC9 O60706 2/20 0.42
ABCC8 Q09428 2/20 0.42
KCNJ8 Q15842 2/20 0.42
P2RX7 Q99572 3/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
S1PR3 Q99500 2/20 0.39
S1PR1 P21453 1/20 0.39

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
SCHEMBL5215333 1.00 KCNJ11 (0.44) KCNJ11ABCC9ABCC8KCNJ8P2RX7
SCHEMBL5214832 0.84 KCNJ11 (0.51) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL5214837 0.84 KCNJ11 (0.51) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL4682389 0.84 KCNJ11 (0.49) KCNJ11ABCC9ABCC8KCNJ8P2RX7
SCHEMBL4682394 0.84 KCNJ11 (0.49) KCNJ11ABCC9ABCC8KCNJ8P2RX7
SCHEMBL4684691 0.83 KCNJ11 (0.62) KCNJ11ABCC9ABCC8KCNJ8P2RX7
SCHEMBL4684693 0.83 KCNJ11 (0.62) KCNJ11ABCC9ABCC8KCNJ8P2RX7
SCHEMBL6613974 0.82 NPC1 (0.39) KCNJ11P2RX7NPC1RAB9AS1PR3
SCHEMBL5213466 0.82 KCNJ11 (0.52) KCNJ11ABCC9ABCC8KCNJ8P2RX7
SCHEMBL5213464 0.82 KCNJ11 (0.52) KCNJ11ABCC9ABCC8KCNJ8P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 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
JP-2003506355-A 2003-02-18 JP claimed
WO-2002062762-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO claimed
EP-1198456-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-24 EP claimed
US-20020028836-A1 Potassium channel openers ABBVIE INC. 2002-03-07 US claimed
WO-2001009096-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2001-02-08 WO claimed
EP-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 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
EP-1198456-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-24 EP disclosed
US-20020028836-A1 Potassium channel openers ABBVIE INC. 2002-03-07 US disclosed
WO-2001009096-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2001-02-08 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-20020028836-A1 Potassium channel openers KCNJ2, KCNJ11, KCNJ1 KCNJ11 2/4885ABCC9 359/4885ABCC8 451/4885

“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.