SCHEMBL2969083

SCHEMBL2969083

CSC(=NC#N)Nc1ccc(Cl)nc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 12/20 0.41
KCNQ2 O43526 12/20 0.41
KCNE1 P15382 8/20 0.41
KCNQ1 P51787 8/20 0.41
BACE1 P56817 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KCNJ11 Q14654 5/20 0.38
DGAT1 O75907 1/20 0.38

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
SCHEMBL4679225 1.00 KCNQ3 (0.41) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL8772863 0.82 ALDH1A1 (0.44) RAB9ASMN1; SMN2
SCHEMBL16014016 0.80 USP30 (0.43) KCNJ11
SCHEMBL16014017 0.80 USP30 (0.43) KCNJ11
SCHEMBL16013312 0.79 SMARCA2 (0.48)
SCHEMBL16013313 0.79 SMARCA2 (0.48)
SCHEMBL4092695 0.79 ALDH1A1 (0.43) RAB9ASMN1; SMN2
SCHEMBL4104086 0.79 ALDH1A1 (0.43) RAB9ASMN1; SMN2
SCHEMBL7637779 0.78 KCNJ11 (0.43) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL7637789 0.78 KCNJ11 (0.43) KCNQ3KCNQ2KCNE1KCNQ1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763640-B2 Substituted oxyguanidines BAYER CORPSCIENCE AG (DE) 2010-07-27 US disclosed
US-20080312297-A1 Substituted Oxyguanidines BAYER CROPSCIENCE AG (DE) 2008-12-18 US disclosed
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 (2 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 KCNQ3 25/4885KCNQ2 15/4885KCNE1 31/4885
US-20080312297-A1 Substituted Oxyguanidines OGA, CAT, OGG1 KCNQ3 3246/4885KCNQ2 3217/4885KCNE1 3171/4885

“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.