SCHEMBL3964804

SCHEMBL3964804

O=C1Nc2cc(Cl)ccc2C1C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
TNKS O95271 1/20 0.43
PARP1 P09874 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
CACNB4 O00305 1/20 0.41
CACNA1A O00555 1/20 0.41
CACNA1G O43497 1/20 0.41
CACNG3 O60359 1/20 0.41
CACNA1F O60840 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNB3 P54284 1/20 0.41
CACNA2D1 P54289 1/20 0.41
CACNG7 P62955 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNB1 Q02641 1/20 0.41
CACNG1 Q06432 1/20 0.41
CACNB2 Q08289 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41

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
SCHEMBL3964756 0.98 TNKS (0.44) MAPTTNKSPARP1PARP2CACNB4
SCHEMBL7350572 0.88 KCNH2 (0.44) MAPTCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL15574984 0.87 TNKS (0.43) TNKSPARP1PARP2CACNB4CACNA1A
SCHEMBL19239951 0.83 TNKS (0.47) TNKSPARP1PARP2CACNB4CACNA1A
SCHEMBL4969021 0.81 TNKS (0.53) MAPTTNKSPARP1PARP2
SCHEMBL4963277 0.80 TNKS (0.56) TNKSPARP1PARP2CACNB4CACNA1A
SCHEMBL18552441 0.78 MAPT (0.49) MAPT
SCHEMBL7375443 0.78 MAPT (0.49) MAPT
SCHEMBL3969511 0.76 TNKS (0.46) MAPTTNKSPARP1PARP2
SCHEMBL1320495 0.75 PGR (0.40) PGR

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 MAPT 4165/4885TNKS 1562/4885PARP1 2143/4885

“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.