SCHEMBL6089506

SCHEMBL6089506

COc1ccc(C2NC(=O)c3cccc4c3N2CC/C4=N\O)cc1C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.38
GAA P10253 3/20 0.38
ALDH1A1 P00352 13/20 0.36
MAPT P10636 5/20 0.36
HPGD P15428 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
HSD17B10 Q99714 3/20 0.33
KLK7 P49862 1/20 0.33
KMT2A Q03164 2/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL6089511 1.00 KDM4E (0.38) KDM4EGAAALDH1A1MAPTHPGD
SCHEMBL6090978 0.90 KDM4E (0.37) KDM4EGAAALDH1A1MAPTHPGD
SCHEMBL6090982 0.90 KDM4E (0.37) KDM4EGAAALDH1A1MAPTHPGD
SCHEMBL6090687 0.89 KDM4E (0.46) KDM4EGAAALDH1A1MAPTHPGD
SCHEMBL6091280 0.88 KDM4E (0.37) KDM4EGAAALDH1A1MAPTHPGD
SCHEMBL6091283 0.88 KDM4E (0.37) KDM4EGAAALDH1A1MAPTHPGD
SCHEMBL6091130 0.87 KDM4E (0.39) KDM4EGAAALDH1A1MAPTHPGD
SCHEMBL6090492 0.84 TNKS2 (0.38) KDM4EGAAALDH1A1MAPTHPGD
SCHEMBL6090498 0.84 TNKS2 (0.38) KDM4EGAAALDH1A1MAPTHPGD
SCHEMBL6091800 0.82 ALDH1A1 (0.44) KDM4EGAAALDH1A1MAPTHPGD

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-20060004028-A1 Novel PARP inhibitor MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
EP-1582520-A1 NOVEL PARP INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2005-10-05 EP 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-20060004028-A1 Novel PARP inhibitor PARP1, PARP2, PARP11 KDM4E 812/4885GAA 2522/4885ALDH1A1 1890/4885

“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.