SCHEMBL6092151

SCHEMBL6092151

COc1cc(C2NC(=O)c3cccc4c3N2CCC4=NO)cc(Br)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
KDM4E B2RXH2 6/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 1/20 0.39
ABCB1 P08183 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
TP53 P04637 3/20 0.36
MAPT P10636 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FKBP1A P62942 3/20 0.34
EGFR P00533 2/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33

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
SCHEMBL6092146 1.00 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDHSD17B10ABCB1
SCHEMBL6090250 0.88 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHSD17B10ABCB1
SCHEMBL6090687 0.84 KDM4E (0.46) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL6091283 0.83 KDM4E (0.37) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL6091280 0.83 KDM4E (0.37) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL6089506 0.82 KDM4E (0.38) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL6089511 0.82 KDM4E (0.38) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL6090982 0.81 KDM4E (0.37) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL6090978 0.81 KDM4E (0.37) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL6089910 0.80 GAA (0.39) ALDH1A1KDM4EHPGDHSD17B10MAPT

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 ALDH1A1 1890/4885KDM4E 812/4885HPGD 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.