SCHEMBL4678565

SCHEMBL4678565

CC(Cl)(Cl)C(NC(=O)c1cccc(Cl)c1)NC(=NC#N)Nc1ccccc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 10/20 0.54
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
ALOX12 P18054 2/20 0.46
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ABCC9 O60706 2/20 0.44
ABCC8 Q09428 1/20 0.44
KCNJ8 Q15842 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
RAB9A P51151 3/20 0.42
CTSV O60911 2/20 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
SCHEMBL4678562 1.00 KCNJ11 (0.54) KCNJ11MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4683528 0.90 KCNJ11 (0.66) KCNJ11ALDH1A1ABCC9ABCC8KCNJ8
SCHEMBL4683532 0.90 KCNJ11 (0.66) KCNJ11ALDH1A1ABCC9ABCC8KCNJ8
SCHEMBL4738263 0.85 KCNJ11 (0.47) KCNJ11MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4678862 0.85 KCNJ11 (0.51) KCNJ11MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4678860 0.85 KCNJ11 (0.51) KCNJ11MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4684693 0.83 KCNJ11 (0.62) KCNJ11MEN1KMT2AALDH1A1ABCC9
SCHEMBL4684691 0.83 KCNJ11 (0.62) KCNJ11MEN1KMT2AALDH1A1ABCC9
SCHEMBL4685949 0.83 KCNJ11 (0.57) KCNJ11MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4685946 0.83 KCNJ11 (0.57) KCNJ11MEN1KMT2AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392655-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2008-07-16 EP claimed
EP-1392655-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2004-03-03 EP claimed
WO-2002062762-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO 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
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
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 KCNJ11 2/4885MEN1 800/4885KMT2A 1382/4885

“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.