SCHEMBL6080466

SCHEMBL6080466

COC(=O)c1cc(O)c2c(-c3ccccc3)ccc(N)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.46
ALDH1A1 P00352 8/20 0.46
KDM4E B2RXH2 5/20 0.46
NQO2 P16083 3/20 0.44
MAPT P10636 3/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PKM P14618 1/20 0.41
HPGD P15428 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
PRKCZ Q05513 1/20 0.40
HSD17B10 Q99714 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ERCC1 P07992 1/20 0.38
FEN1 P39748 1/20 0.38
ERCC4 Q92889 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL6079878 0.89 EGFR (0.49) EGFRALDH1A1KDM4ENQO2MAPT
SCHEMBL6079930 0.86 BRD4 (0.38) ALDH1A1KDM4EMAPTTDP1HPGD
SCHEMBL6080542 0.81 NQO2 (0.46) ALDH1A1KDM4ENQO2MAPTMAPK1
SCHEMBL6080335 0.80 LMNA (0.46) EGFRALDH1A1KDM4EMAPTHPGD
SCHEMBL6079742 0.79 HSP90AA1 (0.43) ALDH1A1KDM4ENQO2MAPTTDP1
SCHEMBL6079384 0.78 ALDH1A1 (0.47) ALDH1A1KDM4ENQO2MAPTMAPK1
SCHEMBL6080426 0.77 NQO2 (0.43) EGFRALDH1A1KDM4ENQO2MAPT
SCHEMBL6080535 0.76 NQO2 (0.40) ALDH1A1KDM4ENQO2MAPTPKM
SCHEMBL6080778 0.76 EGFR (0.46) EGFRALDH1A1KDM4EMAPTMAPK1
SCHEMBL6079506 0.75 KDM4E (0.53) ALDH1A1KDM4ENQO2MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US claimed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 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 (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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NQO1, NQO2, RECQL EGFR 4762/4885ALDH1A1 2726/4885KDM4E 1006/4885

“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.