SCHEMBL6676763

SCHEMBL6676763

CCN(CC)CCNc1nc2cc(C)c(C)cc2[n+]([O-])n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
KCNH2 Q12809 2/20 0.36
RXFP1 Q9HBX9 1/20 0.34
CCR4 P51679 1/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FGFR1 P11362 1/20 0.32
TSHR P16473 1/20 0.32
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
CACNA2D1 P54289 1/20 0.30
CSNK2A1 P68400 1/20 0.30
LCK P06239 1/20 0.30
HCK P08631 1/20 0.30
SRC P12931 1/20 0.30

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
SCHEMBL6673922 0.87 DNM2 (0.37) KCNH2
SCHEMBL6676375 0.86 KCNH2 (0.42) CA1CA2CA9KCNH2RXFP1
SCHEMBL3386467 0.83 CA1 (0.34) CA1CA2CA9KCNH2CCR4
SCHEMBL6673982 0.82 HTT (0.49) CA1CA2CA9CCR4KDM4E
SCHEMBL6679553 0.81 FLT3 (0.41) CA1CA2CA9KCNH2CCR4
SCHEMBL6678638 0.81 KCNH2 (0.38) CA1CA2CA9KCNH2RXFP1
SCHEMBL3383048 0.79 CA1 (0.32) CA1CA2CA9KCNH2
SCHEMBL6677311 0.79 FGFR1 (0.40) CA1CA2CA9KCNH2RXFP1
SCHEMBL6677689 0.78 KCNH2 (0.35) CA1CA2CA9KCNH2KDM4E
SCHEMBL6933547 0.77 KDM1A (0.44)

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 CA1 1791/4885CA2 566/4885CA9 2838/4885

“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.