SCHEMBL85609

SCHEMBL85609

CB(O)N1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)Nc1ccc(N2CCOCC2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.48
MAPT P10636 3/20 0.41
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 2/20 0.39
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
SCHEMBL5605979 0.89 F10 (0.50) F10MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL3103885 0.87 F10 (0.53) F10MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL76756 0.85 F10 (0.51) F10MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL76719 0.84 F10 (0.68) F10MAPT
SCHEMBL76720 0.84 F10 (0.68) F10MAPT
SCHEMBL4202155 0.83 F10 (0.45) F10MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL85516 0.80 F10 (0.54) F10MAPTALDH1A1
SCHEMBL85069 0.79 F10 (0.65) F10MAPT
SCHEMBL92844 0.76 F10 (0.50) F10MAPT
SCHEMBL76757 0.74 MAPT (0.40) F10MAPTALDH1A1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20100256131-A1 CARBONYL COMPOUNDS F2, F11, PDHX F10 5/4885MAPT 3896/4885ALDH1A1 268/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB F10 22/4885MAPT 2660/4885ALDH1A1 339/4885

“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.