SCHEMBL13319980

SCHEMBL13319980

CCOC(=O)c1cc2occc2n1C(=O)[C@H](C)N

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
MAPT P10636 5/20 0.54
POLB P06746 3/20 0.54
HTT P42858 2/20 0.54
TP53 P04637 2/20 0.50
TSHR P16473 6/20 0.49
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
THRB P10828 2/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL12864544 1.00 ALDH1A1 (0.54) ALDH1A1MAPTPOLBHTTTP53
SCHEMBL13319979 0.90 ALDH1A1 (0.52) ALDH1A1MAPTPOLBHTTTP53
SCHEMBL12864543 0.85 ALDH1A1 (0.52) ALDH1A1MAPTPOLBHTTTP53
SCHEMBL1171793 0.82 ALDH1A1 (0.59) ALDH1A1MAPTPOLBHTTTP53
SCHEMBL13319967 0.82 ALDH1A1 (0.59) ALDH1A1MAPTPOLBHTTTP53
SCHEMBL13319978 0.81 KDM1A (0.43) ALDH1A1MAPTPOLBHTTTP53
SCHEMBL12864541 0.81 KDM1A (0.43) ALDH1A1MAPTPOLBHTTTP53
SCHEMBL12864540 0.79 CYP3A4 (0.36) ALDH1A1MAPTPOLBHTTTP53
SCHEMBL22143046 0.79 ALDH1A1 (0.56) ALDH1A1MAPTPOLBHTTTP53
SCHEMBL12864009 0.79 ALDH1A1 (0.60) ALDH1A1MAPTPOLBHTTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-05-13 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-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 ALDH1A1 350/4885MAPT 2275/4885POLB 2437/4885

“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.