SCHEMBL6978711

SCHEMBL6978711

O=c1[nH]c2ccccc2c(=O)n1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.65
KDM4E B2RXH2 2/20 0.65
TP53 P04637 1/20 0.56
MEN1 O00255 2/20 0.55
MAPT P10636 2/20 0.55
KMT2A Q03164 2/20 0.55
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
NPEPPS P55786 2/20 0.50
CTSV O60911 1/20 0.50
CTSL P07711 1/20 0.50
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
SCN2A Q99250 1/20 0.48
IDO1 P14902 1/20 0.47
PARP1 P09874 1/20 0.47
HPN P05981 1/20 0.47
NPC1 O15118 1/20 0.46

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
SCHEMBL6281073 0.87 PDE7A (0.64) GAAKDM4EMEN1MAPTKMT2A
SCHEMBL6982431 0.85 TP53 (0.57) GAAKDM4ETP53MEN1MAPT
SCHEMBL6980347 0.79 KDM4E (1.00) GAAKDM4ETP53MEN1MAPT
SCHEMBL10889569 0.79 PDE4A (0.57) GAAKDM4EMEN1MAPTKMT2A
SCHEMBL1548611 0.79 KDM4E (0.52) GAAKDM4ETP53NPEPPSCTSV
SCHEMBL6981446 0.78 KDM4E (0.71) GAAKDM4ETP53MEN1KMT2A
SCHEMBL6981508 0.78 KDM4E (0.72) GAAKDM4ETP53NPEPPSCA12
SCHEMBL6975203 0.78 KDM4E (0.72) GAAKDM4ETP53NPEPPSCA12
SCHEMBL6979777 0.76 KDM4E (0.68) GAAKDM4ETP53MEN1MAPT
SCHEMBL5328812 0.75 HPN (0.58) GAAKDM4EMEN1MAPTKMT2A

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-20030199530-A1 New compounds derived from quinazoline LES LABORATORIES SERVIER (FR) 2003-10-23 US disclosed
EP-1346992-A1 Quinazoline derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2003-09-24 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-20030199530-A1 New compounds derived from quinazoline NQO2, XDH, DRD1 GAA 638/4885KDM4E 4217/4885TP53 3198/4885

“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.