SCHEMBL4906925

SCHEMBL4906925

O=C(O)c1cccnc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.59
KDM4E B2RXH2 2/20 0.59
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
IDO1 P14902 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 2/20 0.45
ALOX15 P16050 2/20 0.45
TSHR P16473 1/20 0.45
BLM P54132 1/20 0.45
AGER Q15109 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDR P35968 2/20 0.44
AURKA O14965 1/20 0.44
DAPK3 O43293 1/20 0.44
JAK2 O60674 1/20 0.44
PRKD3 O94806 1/20 0.44
PAK4 O96013 1/20 0.44

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
SCHEMBL4906930 1.00 TDP1 (0.59) TDP1KDM4EPOLBMAPK1IDO1
SCHEMBL25277063 0.87 MAPT (0.51) TDP1KDM4EIDO1L3MBTL1MAPT
SCHEMBL7273341 0.84 PDE4D (0.60) TDP1KDM4EIDO1MAPTALDH1A1
SCHEMBL10768030 0.84 PDE4D (0.60) TDP1KDM4EIDO1MAPTALDH1A1
SCHEMBL31586013 0.80 KDM4E (0.77) TDP1KDM4EL3MBTL1MAPTALDH1A1
SCHEMBL912675 0.80 KDM4E (0.77) TDP1KDM4EL3MBTL1MAPTALDH1A1
SCHEMBL7362367 0.79 IDO1 (0.41) TDP1POLBMAPK1IDO1L3MBTL1
SCHEMBL7362370 0.79 IDO1 (0.41) TDP1POLBMAPK1IDO1L3MBTL1
SCHEMBL3712467 0.78 KDM4E (0.67) TDP1KDM4EL3MBTL1MAPTALDH1A1
SCHEMBL14564497 0.78 KDM4E (0.67) TDP1KDM4EL3MBTL1MAPTALDH1A1

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
CN-108329325-B Synthesis method of 8-azachromone 天津科技大学 2020-11-10 CN disclosed
US-20080269214-A1 Pyrrole Derivatives as Dna Gyrase and Topoisomerase Inhibitors ASTRAZENECA AB (SE) 2008-10-30 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-20080269214-A1 Pyrrole Derivatives as Dna Gyrase and Topoisomerase Inhibitors TOP1, TOP2A, TOP2B TDP1 23/4885KDM4E 1366/4885POLB 4/4885

“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.