SCHEMBL529953

SCHEMBL529953

CCOC(=O)c1cnc2ccccc2c1Nc1ccc(NC(C)=O)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.67
GAA P10253 2/20 0.67
TP53 P04637 2/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
ALDH1A1 P00352 2/20 0.66
LMNA P02545 2/20 0.66
MAPK1 P28482 1/20 0.66
KDM4E B2RXH2 2/20 0.65
RXFP1 Q9HBX9 1/20 0.65
AURKA O14965 2/20 0.64
AURKB Q96GD4 2/20 0.64
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
PKM P14618 1/20 0.62
KDM1A O60341 1/20 0.57
MITF O75030 1/20 0.57
POLB P06746 1/20 0.57
RAD52 P43351 1/20 0.57
RECQL P46063 1/20 0.57
NPSR1 Q6W5P4 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
SCHEMBL11244977 0.90 ALDH1A1 (0.78) MAPTGAATP53SMN1; SMN2ALDH1A1
SCHEMBL23494012 0.89 MAPT (0.70) MAPTGAATP53SMN1; SMN2ALDH1A1
SCHEMBL31307884 0.89 MAPT (0.70) MAPTGAATP53SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL11254237 0.89 ALDH1A1 (0.80) MAPTGAATP53SMN1; SMN2ALDH1A1
SCHEMBL31307789 0.88 MAPT (0.74) MAPTGAATP53SMN1; SMN2ALDH1A1
SCHEMBL23493878 0.88 MAPT (0.74) MAPTGAATP53SMN1; SMN2ALDH1A1
SCHEMBL528999 0.87 MAPT (0.78) MAPTGAATP53SMN1; SMN2ALDH1A1
SCHEMBL23494116 0.87 MAPT (0.79) MAPTGAATP53SMN1; SMN2ALDH1A1
SCHEMBL31307858 0.87 MAPT (0.79) MAPTGAATP53SMN1; SMN2ALDH1A1
SCHEMBL529795 0.85 MAPT (0.69) MAPTGAATP53SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2597955-B1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE INC (JP) 2016-01-20 EP disclosed
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
CN-103153063-A Quinoline derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE INC 2013-06-12 CN 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
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 MAPT 2791/4885GAA 2876/4885TP53 1390/4885

“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.