SCHEMBL6677683

SCHEMBL6677683

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.36
KDM4E B2RXH2 1/20 0.34
NCF1 P14598 2/20 0.34
CCR9 P51686 1/20 0.33
KDM1A O60341 2/20 0.33
RCOR1 Q9UKL0 2/20 0.33
EHMT2 Q96KQ7 1/20 0.33
SLC2A1 P11166 1/20 0.33
SYK P43405 1/20 0.32
WHR1 P49842 1/20 0.32
DNM2 P50570 6/20 0.32

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
SCHEMBL6679202 0.89 KCNH2 (0.42) KCNH2NCF1KDM1ARCOR1EHMT2
SCHEMBL6678638 0.88 KCNH2 (0.38) KCNH2KDM4E
SCHEMBL6673992 0.87 HTR1D (0.35) KCNH2
SCHEMBL2774178 0.84 KCNH2 (0.40) KCNH2NCF1KDM1ARCOR1EHMT2
SCHEMBL2776366 0.82 SCN9A (0.42) NCF1KDM1ARCOR1EHMT2
SCHEMBL2776640 0.81 KDM1A (0.42) KDM1ARCOR1EHMT2WHR1
SCHEMBL6679102 0.81 FLT3 (0.39) KCNH2NCF1KDM1ARCOR1EHMT2
SCHEMBL6673922 0.80 DNM2 (0.37) KCNH2NCF1KDM1ARCOR1EHMT2
SCHEMBL6678946 0.79 NCF1 (0.44) NCF1KDM1ARCOR1EHMT2SLC2A1
SCHEMBL2776163 0.79 POLB (0.41) KDM4EDNM2

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 2400/4885KDM4E 1298/4885NCF1 100/4885

“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.