SCHEMBL1444331

SCHEMBL1444331

COC(=O)c1cccc(CN2C(=O)/C(=C(\c3ccccc3)c3ccc(C#N)cc3)c3ccccc32)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 12/20 0.61
PRKAB1 Q9Y478 12/20 0.61
PRKAA2 P54646 10/20 0.61
TRPA1 O75762 1/20 0.57
GSK3B P49841 1/20 0.50
PRKAA1 Q13131 2/20 0.48
MAPT P10636 3/20 0.48
PKM P14618 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TP53 P04637 1/20 0.47
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 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
SCHEMBL1445504 0.91 PRKAG1 (0.69) PRKAG1PRKAB1PRKAA2TRPA1GSK3B
SCHEMBL1444356 0.89 PRKAG1 (0.66) PRKAG1PRKAB1PRKAA2TRPA1GSK3B
SCHEMBL14958226 0.88 PRKAG1 (0.64) PRKAG1PRKAB1PRKAA2TRPA1GSK3B
SCHEMBL1444488 0.88 TRPA1 (0.54) PRKAG1PRKAB1PRKAA2TRPA1GSK3B
SCHEMBL12812706 0.88 PRKAG1 (0.67) PRKAG1PRKAB1PRKAA2TRPA1GSK3B
SCHEMBL1445140 0.88 PRKAG1 (0.64) PRKAG1PRKAB1PRKAA2TRPA1GSK3B
SCHEMBL1444157 0.88 PRKAG1 (0.64) PRKAG1PRKAB1PRKAA2TRPA1GSK3B
SCHEMBL1444228 0.88 PRKAG1 (0.80) PRKAG1PRKAB1PRKAA2TRPA1GSK3B
SCHEMBL1444819 0.88 PRKAG1 (0.80) PRKAG1PRKAB1PRKAA2TRPA1GSK3B
SCHEMBL1444319 0.88 TRPA1 (0.54) PRKAG1PRKAB1PRKAA2TRPA1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140288127-A1 Novel Alkene Oxindole Derivatives F. HOFFMANN-LA ROCHE AG (CH) 2014-09-25 US claimed
US-8778973-B2 Alkene oxindole derivatives HOFFMANN-LAROCHE INC. (US) 2014-07-15 US claimed
US-20130131114-A1 NOVEL ALKENE OXINDOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US claimed
US-20110071195-A1 NOVEL ALKENE OXINDOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-03-24 US claimed
WO-2011032320-A1 NOVEL ALKENE OXINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-24 WO claimed
US-20140288127-A1 Novel Alkene Oxindole Derivatives F. HOFFMANN-LA ROCHE AG (CH) 2014-09-25 US disclosed
US-20140288127-A1 Novel Alkene Oxindole Derivatives F. HOFFMANN-LA ROCHE AG (CH) 2014-09-25 US disclosed
US-20140288127-A1 Novel Alkene Oxindole Derivatives F. HOFFMANN-LA ROCHE AG (CH) 2014-09-25 US disclosed
US-8778973-B2 Alkene oxindole derivatives HOFFMANN-LAROCHE INC. (US) 2014-07-15 US disclosed
US-8778973-B2 Alkene oxindole derivatives HOFFMANN-LAROCHE INC. (US) 2014-07-15 US disclosed
US-8778973-B2 Alkene oxindole derivatives HOFFMANN-LAROCHE INC. (US) 2014-07-15 US disclosed
US-20130131114-A1 NOVEL ALKENE OXINDOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US disclosed
US-20130131114-A1 NOVEL ALKENE OXINDOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US disclosed
US-20130131114-A1 NOVEL ALKENE OXINDOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US disclosed
EP-2480530-A1 ALKENE OXINDOLE DERIVATIVES AND THEIR USES TO TREAT OBESITY, DIABETES AND HYPERLIPIDEMIA F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
WO-2011033099-A1 ALKENE OXINDOLE DERIVATIVES AND THEIR USES TO TREAT OBESITY, DIABETES AND HYPERLIPIDEMIA F. HOFFMANN-LA ROCHE AG (CH) 2011-03-24 WO disclosed
US-20110071195-A1 NOVEL ALKENE OXINDOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-03-24 US disclosed
US-20110071195-A1 NOVEL ALKENE OXINDOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-03-24 US disclosed
US-20110071195-A1 NOVEL ALKENE OXINDOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-03-24 US disclosed
WO-2011032320-A1 NOVEL ALKENE OXINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-24 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 (3 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-20140288127-A1 Novel Alkene Oxindole Derivatives PRKAB1, PRKAR2A, PRKAB2 PRKAG1 5/4885PRKAB1 1/4885PRKAA2 12/4885
US-20110071195-A1 NOVEL ALKENE OXINDOLE DERIVATIVES PRKAB1, PRKAR2A, PRKAB2 PRKAG1 5/4885PRKAB1 1/4885PRKAA2 13/4885
US-20130131114-A1 NOVEL ALKENE OXINDOLE DERIVATIVES PRKAB1, PRKAR2A, PRKAB2 PRKAG1 5/4885PRKAB1 1/4885PRKAA2 12/4885

“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.