SCHEMBL6982431

SCHEMBL6982431

O=c1[nH]c2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.57
GAA P10253 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MAPT P10636 2/20 0.53
POLB P06746 1/20 0.52
PLEC Q15149 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
ADORA1 P30542 1/20 0.52
NPC1 O15118 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPEPPS P55786 2/20 0.50
CTSV O60911 1/20 0.50
CTSL P07711 1/20 0.50
HTT P42858 3/20 0.49
ALDH1A1 P00352 3/20 0.49
PDE7A Q13946 1/20 0.49
PDE7B Q9NP56 1/20 0.49
CA12 O43570 1/20 0.48

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
SCHEMBL6978711 0.85 GAA (0.65) TP53GAAKDM4EMEN1KMT2A
SCHEMBL6981446 0.81 KDM4E (0.71) TP53GAAKDM4EMEN1KMT2A
SCHEMBL6971771 0.80 HTT (0.72) TP53GAAKDM4EKMT2AMAPT
SCHEMBL1548611 0.79 KDM4E (0.52) TP53GAAKDM4EADORA3ADORA1
SCHEMBL6973874 0.79 TP53 (0.62) TP53GAAKDM4EMAPTADORA3
SCHEMBL12889780 0.79 TP53 (0.62) TP53GAAKDM4EMAPTPOLB
SCHEMBL1548586 0.79 TP53 (0.62) TP53GAAKDM4EMAPTPOLB
SCHEMBL6970729 0.79 GAA (0.64) TP53GAAKDM4EKMT2AMAPT
SCHEMBL6977596 0.79 KDM4E (0.73) TP53GAAKDM4EMEN1KMT2A
SCHEMBL14596922 0.77 CA12 (0.66) TP53GAAKDM4ENPC1SMN1; SMN2

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 TP53 3198/4885GAA 638/4885KDM4E 4217/4885

“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.