SCHEMBL3964720

SCHEMBL3964720

O=C(O)N1CCCC(C2(Cc3cccc(Cl)c3)C(=O)Nc3cc(Cl)ccc32)C1

nearest known ligand 0.86

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 9/20 0.86
TP53 P04637 8/20 0.86
ACHE P22303 3/20 0.39
HSD11B1 P28845 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM3 P20309 1/20 0.38
GRIN2B Q13224 1/20 0.37

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
SCHEMBL3967494 0.93 MDM2 (0.83) MDM2TP53ACHEGRIN2B
SCHEMBL3971402 0.93 MDM2 (1.00) MDM2TP53ACHEL3MBTL1
SCHEMBL4962890 0.93 MDM2 (0.77) MDM2TP53ACHEHSD11B1
SCHEMBL3964590 0.90 MDM2 (0.82) MDM2TP53CHRM2CHRM3
SCHEMBL3964722 0.90 TP53 (0.76) MDM2TP53GRIN2B
SCHEMBL3966847 0.89 MDM2 (0.81) MDM2TP53HSD11B1L3MBTL1
SCHEMBL8249405 0.89 TP53 (0.77) MDM2TP53GRIN2B
SCHEMBL8249668 0.89 MDM2 (0.77) MDM2TP53GRIN2B
SCHEMBL3968122 0.89 MDM2 (0.80) MDM2TP53
SCHEMBL3970693 0.89 MDM2 (0.77) MDM2TP53GRIN2B

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
CN-101203489-B Oxindole derivatives HOFFMANN LA ROCHE 2011-08-31 CN claimed
US-7576082-B2 Oxindole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US claimed
JP-2008543917-A 2008-12-04 JP claimed
CN-101203489-A Oxindole derivatives HOFFMANN LA ROCHE (CH) 2008-06-18 CN claimed
EP-1896412-A2 OXINDOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2008-03-12 EP claimed
WO-2006136606-A2 OXINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-12-28 WO claimed
US-20060293319-A1 Oxindole derivatives LUK KIM-CHUN 2006-12-28 US claimed
CN-101203489-B Oxindole derivatives HOFFMANN LA ROCHE 2011-08-31 CN disclosed
US-7576082-B2 Oxindole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
CN-101203489-A Oxindole derivatives HOFFMANN LA ROCHE (CH) 2008-06-18 CN disclosed
EP-1896412-A2 OXINDOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2008-03-12 EP disclosed
WO-2006136606-A2 OXINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-12-28 WO disclosed
US-20060293319-A1 Oxindole derivatives LUK KIM-CHUN 2006-12-28 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-20060293319-A1 Oxindole derivatives CCNI, OGFR, MKI67 MDM2 759/4885TP53 96/4885ACHE 3939/4885

“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.