SCHEMBL6971771

SCHEMBL6971771

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.72
TP53 P04637 2/20 0.64
KDM4E B2RXH2 5/20 0.61
GAA P10253 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.58
NPC1 O15118 1/20 0.58
NPEPPS P55786 2/20 0.56
PDE7A Q13946 1/20 0.55
PDE7B Q9NP56 1/20 0.55
ALDH1A1 P00352 6/20 0.53
ADORA3 P0DMS8 1/20 0.53
ADORA2A P29274 1/20 0.53
ADORA2B P29275 1/20 0.53
ADORA1 P30542 1/20 0.53
CA12 O43570 1/20 0.53
RNASEH1 O60930 1/20 0.53
ERCC1 P07992 1/20 0.53
ERCC5 P28715 1/20 0.53
FEN1 P39748 1/20 0.53
CA9 Q16790 1/20 0.53

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
SCHEMBL6981446 0.88 KDM4E (0.71) HTTTP53KDM4EGAASMN1; SMN2
SCHEMBL6970729 0.85 GAA (0.64) HTTTP53KDM4EGAASMN1; SMN2
SCHEMBL1548586 0.85 TP53 (0.62) HTTTP53KDM4EGAASMN1; SMN2
SCHEMBL6977596 0.85 KDM4E (0.73) HTTTP53KDM4EGAASMN1; SMN2
SCHEMBL12889780 0.85 TP53 (0.62) HTTTP53KDM4EGAASMN1; SMN2
SCHEMBL6973874 0.85 TP53 (0.62) HTTTP53KDM4EGAASMN1; SMN2
SCHEMBL9994946 0.85 HTT (0.56) HTTTP53KDM4EGAAL3MBTL1
SCHEMBL6975203 0.84 KDM4E (0.72) HTTTP53KDM4EGAASMN1; SMN2
SCHEMBL8217549 0.82 KDM4E (0.60) HTTTP53KDM4EGAASMN1; SMN2
SCHEMBL6982369 0.82 KDM4E (0.60) HTTTP53KDM4EGAASMN1; 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 HTT 2594/4885TP53 3198/4885KDM4E 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.