SCHEMBL4683403

SCHEMBL4683403

CC(C)(C)C(NC(=O)c1ccc(Cl)cc1)NC(=N[N+](=O)[O-])Nc1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 12/20 0.68
KCNJ11 Q14654 12/20 0.68
ABCC8 Q09428 9/20 0.68
KCNJ8 Q15842 9/20 0.68
CYP11B1 P15538 2/20 0.53
CYP11B2 P19099 2/20 0.53
NAMPT P43490 2/20 0.51
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
FFAR2 O15552 1/20 0.47

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
SCHEMBL4683396 1.00 ABCC9 (0.68) ABCC9KCNJ11ABCC8KCNJ8CYP11B1
SCHEMBL4685649 0.94 ABCC9 (0.65) ABCC9KCNJ11ABCC8KCNJ8CYP11B1
SCHEMBL4685640 0.94 ABCC9 (0.65) ABCC9KCNJ11ABCC8KCNJ8CYP11B1
SCHEMBL4679762 0.91 ABCC9 (0.56) ABCC9KCNJ11ABCC8KCNJ8CYP11B1
SCHEMBL4679754 0.91 ABCC9 (0.56) ABCC9KCNJ11ABCC8KCNJ8CYP11B1
SCHEMBL4681996 0.88 ABCC9 (0.58) ABCC9KCNJ11ABCC8KCNJ8CYP11B1
SCHEMBL4683946 0.88 ABCC9 (0.63) ABCC9KCNJ11ABCC8KCNJ8CYP11B1
SCHEMBL4681997 0.88 ABCC9 (0.58) ABCC9KCNJ11ABCC8KCNJ8CYP11B1
SCHEMBL4684717 0.88 ABCC9 (0.58) ABCC9KCNJ11ABCC8KCNJ8CYP11B1
SCHEMBL4684715 0.88 ABCC9 (0.58) ABCC9KCNJ11ABCC8KCNJ8CYP11B1

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 9 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
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-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
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 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.