SCHEMBL4678636

SCHEMBL4678636

CC(C)(C)C(NC(=O)c1ccc(Br)cc1)N/C(=N/C#N)Nc1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 16/20 0.62
KCNJ11 Q14654 16/20 0.62
ABCC8 Q09428 10/20 0.56
KCNJ8 Q15842 10/20 0.56
CYP11B1 P15538 2/20 0.54
CYP11B2 P19099 2/20 0.54
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
NAMPT P43490 1/20 0.45

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
SCHEMBL4678639 1.00 ABCC9 (0.62) ABCC9KCNJ11ABCC8KCNJ8CYP11B1
SCHEMBL4679042 0.91 KCNJ11 (0.61) ABCC9KCNJ11ABCC8KCNJ8CYP11B1
SCHEMBL4678874 0.91 KCNJ11 (0.61) ABCC9KCNJ11ABCC8KCNJ8CYP11B1
SCHEMBL4682408 0.90 KCNJ11 (0.56) ABCC9KCNJ11ABCC8KCNJ8CYP11B1
SCHEMBL4679477 0.90 KCNJ11 (0.69) ABCC9KCNJ11ABCC8KCNJ8CYP11B1
SCHEMBL4683442 0.90 KCNJ11 (0.56) ABCC9KCNJ11ABCC8KCNJ8CYP11B1
SCHEMBL4682401 0.90 KCNJ11 (0.56) ABCC9KCNJ11ABCC8KCNJ8CYP11B1
SCHEMBL4679472 0.90 KCNJ11 (0.69) ABCC9KCNJ11ABCC8KCNJ8CYP11B1
SCHEMBL4683445 0.90 KCNJ11 (0.56) ABCC9KCNJ11ABCC8KCNJ8CYP11B1
SCHEMBL5212975 0.86 KCNJ11 (0.52) ABCC9KCNJ11ABCC8KCNJ8NPC1

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 12 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
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
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-1392655-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2008-07-16 EP disclosed
EP-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 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
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 ABCC9 359/4885KCNJ11 2/4885ABCC8 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.