SCHEMBL3969681

SCHEMBL3969681

O=C1Nc2cc(Cl)ccc2C1(Cc1cccc(Cl)c1)C1CCCCC1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 13/20 0.69
TP53 P04637 12/20 0.69
EPHX2 P34913 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
PDE7A Q13946 1/20 0.39
PGR P06401 2/20 0.38
MAOB P27338 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
SCHEMBL3964393 0.91 MDM2 (0.60) MDM2TP53CHRM2CHRM3PDE7A
SCHEMBL3962743 0.90 MDM2 (0.62) MDM2TP53MAOB
SCHEMBL3966209 0.89 MDM2 (0.62) MDM2TP53PGRMAOB
SCHEMBL3962265 0.88 MDM2 (0.64) MDM2TP53MAOB
SCHEMBL3966408 0.88 MDM2 (0.64) MDM2TP53PGRMAOB
SCHEMBL4962890 0.86 MDM2 (0.77) MDM2TP53
SCHEMBL4966721 0.85 MDM2 (0.70) MDM2TP53
SCHEMBL3969547 0.84 MDM2 (0.71) MDM2TP53CHRM2CHRM3
SCHEMBL3964720 0.84 MDM2 (0.86) MDM2TP53CHRM2CHRM3
SCHEMBL3969567 0.83 MDM2 (0.80) MDM2TP53

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
US-7576082-B2 Oxindole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US claimed
JP-2008543917-A 2008-12-04 JP 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
US-7576082-B2 Oxindole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
US-7576082-B2 Oxindole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
US-7576082-B2 Oxindole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US 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
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 96/4885EPHX2 3479/4885

“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.