SCHEMBL6674890

SCHEMBL6674890

Cc1cccc2nc(NCCN(C)C)n[n+]([O-])c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.41
PABPC1 P11940 1/20 0.40
EIF4H Q15056 1/20 0.40
TOP2A P11388 1/20 0.39
ELANE P08246 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
SCN9A Q15858 1/20 0.38
POLB P06746 2/20 0.38
RAD52 P43351 2/20 0.38
SMARCA2 P51531 1/20 0.38
PDE5A O76074 1/20 0.38
SLC2A1 P11166 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
GAA P10253 1/20 0.36
ALPG P10696 1/20 0.36
TLR9 Q9NR96 1/20 0.36
KCNH2 Q12809 1/20 0.36
BRD4 O60885 1/20 0.36
ATAD2 Q6PL18 1/20 0.36

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
SCHEMBL6677311 0.87 FGFR1 (0.40) TOP2APOLBSLC2A1KCNH2
SCHEMBL6679142 0.86 SLC2A1 (0.36) ELANESLC2A1KCNH2
SCHEMBL6677637 0.83 DNM2 (0.36) NCF1POLBRAD52SMARCA2KCNH2
SCHEMBL6678946 0.82 NCF1 (0.44) NCF1PABPC1EIF4HTOP2AMKNK1
SCHEMBL3385030 0.81 PABPC1 (0.41) NCF1PABPC1EIF4HRAD52HRH3
SCHEMBL3385653 0.78 HRH3 (0.40) PABPC1EIF4HPOLBHRH3
SCHEMBL6673922 0.77 DNM2 (0.37) NCF1RAD52SLC2A1KCNH2ATAD2
SCHEMBL6674578 0.77 SRC (0.43) TOP2ASMARCA2HRH3GAA
SCHEMBL2774178 0.76 KCNH2 (0.40) NCF1POLBRAD52SMARCA2SLC2A1
SCHEMBL2777536 0.75 KCNH2 (0.40) NCF1POLBRAD52SMARCA2SLC2A1

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
EP-1468688-A2 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments Auckland Uniservices Limited (NZ) 2004-10-20 EP disclosed
US-20040192686-A1 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments AUCKLAND UNISERVICES LIMITED (NZ) 2004-09-30 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-20040192686-A1 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments NPM1, DUOX1, NOX5 NCF1 100/4885PABPC1 3893/4885EIF4H 3912/4885

“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.