SCHEMBL6673922

SCHEMBL6673922

Cc1cc2nc(NCCN(C)C)n[n+]([O-])c2cc1C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNM2 P50570 9/20 0.37
NCF1 P14598 2/20 0.36
KDM1A O60341 2/20 0.35
RCOR1 Q9UKL0 2/20 0.35
KCNH2 Q12809 1/20 0.34
WHR1 P49842 1/20 0.34
ATAD2 Q6PL18 1/20 0.33
RAD52 P43351 1/20 0.33
EHMT2 Q96KQ7 1/20 0.33
SLC2A1 P11166 1/20 0.33

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
SCHEMBL6933547 0.89 KDM1A (0.44) DNM2KDM1ARCOR1WHR1EHMT2
SCHEMBL6679538 0.88 KDM1A (0.43) DNM2KDM1ARCOR1WHR1EHMT2
SCHEMBL6676763 0.87 CA1 (0.37) KCNH2
SCHEMBL2774178 0.85 KCNH2 (0.40) DNM2NCF1KDM1ARCOR1KCNH2
SCHEMBL2777536 0.84 KCNH2 (0.40) DNM2NCF1KDM1ARCOR1KCNH2
SCHEMBL3388870 0.82 PABPC1 (0.36) DNM2NCF1KDM1ARCOR1WHR1
SCHEMBL3390138 0.82 CA12 (0.35) DNM2NCF1KDM1ARCOR1WHR1
SCHEMBL2776366 0.82 SCN9A (0.42) NCF1KDM1ARCOR1EHMT2
SCHEMBL3384858 0.81 RET (0.37) DNM2KDM1ARCOR1WHR1EHMT2
SCHEMBL3389487 0.81 HRH3 (0.37) DNM2NCF1KDM1ARCOR1WHR1

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 DNM2 1281/4885NCF1 100/4885KDM1A 580/4885

“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.