SCHEMBL76531

SCHEMBL76531

O=C(Nc1ccc(N2CCOCC2=O)cc1)[C@H]1C[C@@H](O)CN1C(=O)C=Cc1cccs1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.63
ALDH1A1 P00352 1/20 0.42
MAPT P10636 3/20 0.39
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL76530 1.00 F10 (0.63) F10ALDH1A1MAPTNPC1CASP3
SCHEMBL76610 0.87 F10 (0.61) F10MAPT
SCHEMBL76611 0.87 F10 (0.61) F10MAPT
SCHEMBL2639640 0.86 F10 (0.48) F10ALDH1A1MAPTNPC1CASP3
SCHEMBL76943 0.86 F10 (0.62) F10MAPT
SCHEMBL76066 0.86 F10 (0.62) F10MAPT
SCHEMBL76942 0.86 F10 (0.62) F10MAPT
SCHEMBL76236 0.86 F10 (0.67) F10
SCHEMBL76237 0.86 F10 (0.67) F10
SCHEMBL76067 0.86 F10 (0.62) F10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US claimed
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 US claimed
US-20060183739-A1 Carbonyl compounds MERCK PATENT GMBH (DE) 2006-08-17 US claimed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 US disclosed
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 US disclosed
US-20060183739-A1 Carbonyl compounds MERCK PATENT GMBH (DE) 2006-08-17 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 (3 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-20100256131-A1 CARBONYL COMPOUNDS F2, F11, PDHX F10 5/4885ALDH1A1 268/4885MAPT 3896/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB F10 22/4885ALDH1A1 339/4885MAPT 2660/4885
US-20060183739-A1 Carbonyl compounds F2, F11, PDHX F10 5/4885ALDH1A1 268/4885MAPT 3896/4885

“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.