SCHEMBL3966468

SCHEMBL3966468

O=C1Nc2cc(Cl)ccc2C1(O)c1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.52
POLB P06746 1/20 0.47
CASP6 P55212 1/20 0.47
MDM2 Q00987 8/20 0.46
TP53 P04637 7/20 0.46
PGR P06401 2/20 0.40
IDO1 P14902 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PKM P14618 1/20 0.39
AKR1B1 P15121 1/20 0.39

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
SCHEMBL24281862 0.89 POLB (0.48) BRD4POLBCASP6MDM2TP53
SCHEMBL3969045 0.86 BRD4 (0.49) BRD4POLBCASP6MDM2TP53
SCHEMBL3969763 0.85 TP53 (0.62) BRD4POLBCASP6MDM2TP53
SCHEMBL3973547 0.83 POLB (0.49) BRD4POLBCASP6MDM2TP53
SCHEMBL3964871 0.82 TGM2 (0.45) BRD4POLBCASP6MDM2TP53
SCHEMBL3971829 0.81 POLB (0.56) BRD4POLBCASP6MDM2TP53
SCHEMBL3968785 0.78 MEN1 (0.53) BRD4POLBCASP6MDM2TP53
SCHEMBL3967434 0.77 TP53 (0.51) BRD4POLBCASP6MDM2TP53
SCHEMBL3967991 0.77 ADAMTS5 (0.52) BRD4POLBCASP6MDM2TP53
SCHEMBL2497407 0.77 BRD4 (0.52) BRD4POLBCASP6PGRIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101203489-B Oxindole derivatives HOFFMANN LA ROCHE 2011-08-31 CN disclosed
US-7595317-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-29 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
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
US-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES DUAN JINGWU 2007-07-19 US 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 (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-20060293319-A1 Oxindole derivatives CCNI, OGFR, MKI67 BRD4 1561/4885POLB 3082/4885CASP6 3177/4885
US-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES TNF, MMP9, MMP3 BRD4 2240/4885POLB 1914/4885CASP6 137/4885

“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.