SCHEMBL4683924

SCHEMBL4683924

CC(C)(C)C(NC(=O)c1ccc(Cl)cc1)NC(=NC#N)NCc1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
POLB P06746 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
KCNJ11 Q14654 3/20 0.43
ABCC9 O60706 2/20 0.43
ABCC8 Q09428 2/20 0.43
KCNJ8 Q15842 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 3/20 0.42
P2RX7 Q99572 1/20 0.42
HSD17B10 Q99714 1/20 0.41
MAPK14 Q16539 1/20 0.41
HTT P42858 1/20 0.40
MAPT P10636 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
SCHEMBL4683921 1.00 LMNA (0.45) LMNAPOLBNPC1RAB9AALDH1A1
SCHEMBL4682519 0.84 MEN1 (0.50) POLBRAB9AMEN1KMT2AKCNJ11
SCHEMBL4682524 0.84 MEN1 (0.50) POLBRAB9AMEN1KMT2AKCNJ11
SCHEMBL4678849 0.84 SMN1; SMN2 (0.46) LMNANPC1RAB9AALDH1A1MEN1
SCHEMBL4678842 0.84 SMN1; SMN2 (0.46) LMNANPC1RAB9AALDH1A1MEN1
SCHEMBL4679563 0.84 CYP3A4 (0.47) NPC1RAB9AMEN1KMT2AKCNJ11
SCHEMBL4679565 0.84 CYP3A4 (0.47) NPC1RAB9AMEN1KMT2AKCNJ11
SCHEMBL4682724 0.83 ABCC9 (0.53) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL4682722 0.83 ABCC9 (0.53) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL4682015 0.82 CTSB (0.46) NPC1MEN1KMT2AKCNJ11ABCC9

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
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 LMNA 715/4885POLB 3650/4885NPC1 220/4885

“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.