SCHEMBL529455

SCHEMBL529455

CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccc(NC(C)=O)cc1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.72
MAPT P10636 10/20 0.70
SMN1; SMN2 Q16637 6/20 0.70
GAA P10253 2/20 0.70
KMT2A Q03164 2/20 0.70
THRB P10828 1/20 0.70
MEN1 O00255 1/20 0.70
SLC2A1 P11166 1/20 0.70
ALDH1A1 P00352 2/20 0.69
HTT P42858 1/20 0.69
CLK1 P49759 1/20 0.69
NPSR1 Q6W5P4 1/20 0.69
PAX8 Q06710 1/20 0.62
KDM4E B2RXH2 1/20 0.62
LMNA P02545 1/20 0.62
HPGD P15428 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
PDE4B Q07343 1/20 0.57

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
SCHEMBL31307813 0.90 TP53 (0.81) TP53MAPTSMN1; SMN2GAAKMT2A
SCHEMBL23493754 0.90 TP53 (0.81) TP53MAPTSMN1; SMN2GAAKMT2A
SCHEMBL15191312 0.89 TP53 (0.67) TP53MAPTSMN1; SMN2GAAKMT2A
SCHEMBL23493756 0.89 PAX8 (0.75) TP53MAPTSMN1; SMN2GAAKMT2A
SCHEMBL528999 0.89 MAPT (0.78) TP53MAPTSMN1; SMN2GAAKMT2A
SCHEMBL11246546 0.89 TP53 (0.79) TP53MAPTSMN1; SMN2GAAKMT2A
SCHEMBL529114 0.87 AURKB (0.66) TP53MAPTSMN1; SMN2GAAKMT2A
SCHEMBL528932 0.87 MAPT (0.80) TP53MAPTSMN1; SMN2GAAKMT2A
SCHEMBL529795 0.87 MAPT (0.69) TP53MAPTSMN1; SMN2GAAKMT2A
SCHEMBL23494034 0.87 MAPT (0.74) TP53MAPTSMN1; SMN2GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9120749-B2 Quinoline derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-09-01 US disclosed
US-9120749-B2 Quinoline derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-09-01 US disclosed
US-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-08-22 US disclosed
US-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-08-22 US disclosed
EP-2597955-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-06-05 EP disclosed
WO-2012016082-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2012-02-02 WO 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-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME MELK, NADK, NEK1 TP53 1390/4885MAPT 2791/4885SMN1; SMN2 4148/4885

“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.