SCHEMBL6678638

SCHEMBL6678638

CCN(CC)CCNc1nc2cc(C(C)(C)C)ccc2[n+]([O-])n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
BLM P54132 1/20 0.34
CCR4 P51679 1/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FGFR1 P11362 1/20 0.33
TSHR P16473 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NQO2 P16083 1/20 0.31
CACNA2D1 P54289 1/20 0.30
CSNK2A1 P68400 1/20 0.30
IDO1 P14902 1/20 0.30
POLB P06746 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
SCHEMBL6673992 0.92 HTR1D (0.35) KCNH2
SCHEMBL6677683 0.88 KCNH2 (0.36) KCNH2KDM4E
SCHEMBL6676375 0.84 KCNH2 (0.42) KCNH2CA1CA2CA9CCR4
SCHEMBL6673982 0.83 HTT (0.49) CA1CA2CA9CCR4LMNA
SCHEMBL6679553 0.81 FLT3 (0.41) KCNH2CA1CA2CA9BLM
SCHEMBL6676763 0.81 CA1 (0.37) KCNH2CA1CA2CA9CCR4
SCHEMBL6679202 0.78 KCNH2 (0.42) KCNH2KMT2AMEN1
SCHEMBL3386467 0.77 CA1 (0.34) KCNH2CA1CA2CA9CCR4
SCHEMBL6674380 0.76 SIGMAR1 (0.38) KCNH2KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL6677689 0.76 KCNH2 (0.35) KCNH2CA1CA2CA9KDM4E

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 KCNH2 2400/4885CA1 1791/4885CA2 566/4885

“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.