SCHEMBL4682013

SCHEMBL4682013

CC(C)(C)C(NC(=O)c1ccc(Cl)cc1)N/C(=N\C#N)NCc1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSB P07858 7/20 0.46
CTSS P25774 6/20 0.46
CTSK P43235 6/20 0.46
CTSL P07711 6/20 0.46
CTSV O60911 5/20 0.46
CXCR3 P49682 1/20 0.42
HDAC1 Q13547 1/20 0.42
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
ABCC9 O60706 2/20 0.41
ABCC8 Q09428 2/20 0.41
KCNJ11 Q14654 2/20 0.41
KCNJ8 Q15842 2/20 0.41
NPC1 O15118 1/20 0.40
IDO1 P14902 1/20 0.39
KDM1A O60341 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
SCHEMBL4682015 1.00 CTSB (0.46) CTSBCTSSCTSKCTSLCTSV
SCHEMBL4682524 0.91 MEN1 (0.50) CTSBMEN1CYP1A2CYP2C19KMT2A
SCHEMBL4682519 0.91 MEN1 (0.50) CTSBMEN1CYP1A2CYP2C19KMT2A
SCHEMBL4682724 0.87 ABCC9 (0.53) MEN1KMT2AABCC9ABCC8KCNJ11
SCHEMBL4682722 0.87 ABCC9 (0.53) MEN1KMT2AABCC9ABCC8KCNJ11
SCHEMBL4679565 0.86 CYP3A4 (0.47) MEN1CYP1A2CYP2C19KMT2AABCC9
SCHEMBL4679563 0.86 CYP3A4 (0.47) MEN1CYP1A2CYP2C19KMT2AABCC9
SCHEMBL4678849 0.84 SMN1; SMN2 (0.46) CTSBMEN1KMT2AABCC9ABCC8
SCHEMBL4678842 0.84 SMN1; SMN2 (0.46) CTSBMEN1KMT2AABCC9ABCC8
SCHEMBL4685519 0.84 KCNJ11 (0.48) MEN1CYP1A2CYP2C19KMT2AABCC9

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 13 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
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-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 CTSB 4275/4885CTSS 3509/4885CTSK 2057/4885

“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.