SCHEMBL4679656

SCHEMBL4679656

COc1cccc(N/C(=N\C#N)NC(NC(=O)c2ccc(Cl)cc2)C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 3/20 0.47
PKM P14618 1/20 0.47
TRPV1 Q8NER1 2/20 0.46
MAPT P10636 4/20 0.45
NFKB1 P19838 1/20 0.45
STAT1 P42224 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
KCNJ11 Q14654 3/20 0.45
ABCC9 O60706 2/20 0.45
ABCC8 Q09428 2/20 0.45
KCNJ8 Q15842 2/20 0.45
CNR1 P21554 1/20 0.44
NLRP3 Q96P20 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL4679662 1.00 RAB9A (0.47) RAB9ANPC1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4685518 0.89 KCNJ11 (0.48) RAB9ANPC1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4685519 0.89 KCNJ11 (0.48) RAB9ANPC1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4682175 0.87 KCNJ11 (0.47) RAB9ANPC1KMT2AKCNJ11ABCC9
SCHEMBL4682173 0.87 KCNJ11 (0.47) RAB9ANPC1KMT2AKCNJ11ABCC9
SCHEMBL4682550 0.85 RXFP1 (0.49) MAPTKCNJ11ABCC9ABCC8KCNJ8
SCHEMBL4682547 0.85 RXFP1 (0.49) MAPTKCNJ11ABCC9ABCC8KCNJ8
SCHEMBL4679198 0.82 KCNJ11 (0.44) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL4679196 0.82 KCNJ11 (0.44) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL6612032 0.81 KMT2A (0.49) RAB9ANPC1ALDH1A1KMT2ASMN1; 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 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
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
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
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 RAB9A 3504/4885NPC1 220/4885ALDH1A1 704/4885

“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.