SCHEMBL6091282

SCHEMBL6091282

COc1cc(C2NC(=O)c3cccc4c3N2CCC4=O)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 3/20 0.48
MAPT P10636 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
GAA P10253 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ATM Q13315 1/20 0.46
RAB9A P51151 1/20 0.42
TSHR P16473 1/20 0.42
GPR174 Q9BXC1 1/20 0.41
ERBB2 P04626 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
PTPN1 P18031 1/20 0.41
QDPR P09417 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
SCHEMBL6090310 0.92 MAPT (0.43) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL6088925 0.90 ALDH1A1 (0.48) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL6090687 0.88 KDM4E (0.46) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL6092303 0.88 KDM4E (0.39) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL6091130 0.86 KDM4E (0.39) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL6091358 0.85 KDM4E (0.39) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL6092154 0.85 GAA (0.40) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL6090132 0.85 ALDH1A1 (0.41) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL6089858 0.83 LMNA (0.42) MEN1KMT2AL3MBTL1GPR174
SCHEMBL6092226 0.82 TNKS2 (0.45) KDM4EALDH1A1HPGDMAPTHSD17B10

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 812/4885ALDH1A1 1890/4885HPGD 1459/4885

“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.