SCHEMBL4683428

SCHEMBL4683428

CC(C)(C)C(NC(=O)c1ccc(Cl)cc1)NC(=NC#N)Nc1cnc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.51
CNR1 P21554 2/20 0.48
CNR2 P34972 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MITF O75030 1/20 0.48
XBP1 P17861 1/20 0.48
PAX8 Q06710 1/20 0.48
KLF5 Q13887 1/20 0.48
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
KDR P35968 2/20 0.46
KCNJ11 Q14654 9/20 0.45
ABCC9 O60706 2/20 0.45
ABCC8 Q09428 2/20 0.45
KCNJ8 Q15842 2/20 0.45
TMPRSS4 Q9NRS4 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL4683427 1.00 TRPV1 (0.51) TRPV1CNR1CNR2NPC1RAB9A
SCHEMBL5213898 0.84 KCNJ11 (0.50) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL5213894 0.84 KCNJ11 (0.50) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL5216818 0.83 KCNJ11 (0.55) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL5215908 0.83 KCNJ11 (0.55) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL7146232 0.82 TRPV1 (0.51) TRPV1CNR1CNR2NPC1RAB9A
SCHEMBL5214837 0.82 KCNJ11 (0.51) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL5216415 0.82 KCNJ11 (0.65) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL5216420 0.82 KCNJ11 (0.65) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL5214832 0.82 KCNJ11 (0.51) KCNJ11ABCC9ABCC8KCNJ8

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 12 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
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
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 TRPV1 100/4885CNR1 1068/4885CNR2 2077/4885

“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.