SCHEMBL3103885

SCHEMBL3103885

O=C(O[C@H]1C[C@H](C(=O)Nc2ccc(N3CCOCC3=O)cc2)N(C(=O)O)C1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.53
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.39
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL76720 0.90 F10 (0.68) F10MAPT
SCHEMBL76719 0.90 F10 (0.68) F10MAPT
SCHEMBL5605979 0.90 F10 (0.50) F10MAPTSMN1; SMN2POLBCYP2C9
SCHEMBL76756 0.90 F10 (0.51) F10MAPTSMN1; SMN2POLBCYP2C9
SCHEMBL85609 0.87 F10 (0.48) F10MAPTSMN1; SMN2POLBCYP2C9
SCHEMBL4202155 0.84 F10 (0.45) F10MAPTSMN1; SMN2POLBCYP2C9
SCHEMBL3096939 0.81 F10 (0.65) F10MAPTTDP1
SCHEMBL14286917 0.79 F10 (0.69) F10MAPT
SCHEMBL3114123 0.79 F10 (0.61) F10MAPTALDH1A1TDP1
SCHEMBL12848673 0.78 F10 (0.69) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 5/4885MAPT 3896/4885SMN1; SMN2 2860/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB F10 22/4885MAPT 2660/4885SMN1; SMN2 3650/4885
US-20060183739-A1 Carbonyl compounds F2, F11, PDHX F10 5/4885MAPT 3896/4885SMN1; SMN2 2860/4885

“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.