SCHEMBL3967711

SCHEMBL3967711

O=C1Nc2cc(Cl)ccc2C1(O)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.47
PDE7A Q13946 1/20 0.46
TP53 P04637 2/20 0.43
MDM2 Q00987 2/20 0.43
IDO1 P14902 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
PKM P14618 1/20 0.40
CMA1 P23946 1/20 0.40
AHR P35869 1/20 0.40
CHEK1 O14757 1/20 0.39
LIMK1 P53667 1/20 0.39
APOBEC3A P31941 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
AKR1B1 P15121 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
SCHEMBL3966441 0.99 BRD4 (0.46) BRD4PDE7ATP53MDM2IDO1
SCHEMBL7472300 0.89 BRD4 (0.56) BRD4PDE7AIDO1MEN1KMT2A
SCHEMBL18552511 0.79 IDO1 (0.61) BRD4IDO1MEN1KMT2APOLB
SCHEMBL18552508 0.79 IDO1 (0.61) BRD4IDO1MEN1KMT2APOLB
SCHEMBL24281038 0.77 IDO1 (0.63) BRD4IDO1MEN1KMT2APOLB
SCHEMBL13809831 0.77 MAP3K14 (0.43) PDE7AMEN1KMT2ACYP2C19
SCHEMBL7472923 0.72 PDE7A (0.47) BRD4PDE7AIDO1MEN1KMT2A
SCHEMBL3096345 0.72 BRD4 (0.43) BRD4PDE7AIDO1POLBCYP3A4
SCHEMBL3080911 0.72 BRD4 (0.43) BRD4PDE7AIDO1POLBCYP3A4
SCHEMBL3092409 0.72 BRD4 (0.43) BRD4PDE7AIDO1POLBCYP3A4

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 9 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-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
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 BRD4 1561/4885PDE7A 4444/4885TP53 96/4885

“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.