SCHEMBL6677689

SCHEMBL6677689

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.35
KDM4E B2RXH2 5/20 0.32
ALDH1A1 P00352 4/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
RAB9A P51151 1/20 0.32
CASP7 P55210 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CTNNB1 P35222 1/20 0.31
TCF7L2 Q9NQB0 1/20 0.31
NPY1R P25929 1/20 0.31
NPY5R Q15761 1/20 0.31
GAA P10253 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30
DNM2 P50570 6/20 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
SCHEMBL6676375 0.91 KCNH2 (0.42) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6675559 0.87 GRK6 (0.35) KDM4EALDH1A1HPGDHSD17B10CA1
SCHEMBL6679519 0.87 KDM4E (0.40) KDM4EHSD17B10RAB9A
SCHEMBL2774178 0.86 KCNH2 (0.40) KCNH2DNM2
SCHEMBL6676122 0.85 FLT3 (0.34)
SCHEMBL6673992 0.85 HTR1D (0.35) KCNH2NPY1RNPY5R
Hydrochloric Acid SCHEMBL6676590 0.82 BCHE (0.37) KDM4ECA1CA2CA9NPY1R
SCHEMBL6679132 0.81 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL3385028 0.80 CA12 (0.34) CA1CA2CA9
SCHEMBL6674985 0.79 PDE5A (0.43) KDM4EALDH1A1HPGDHSD17B10MAPK1

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 1298/4885ALDH1A1 609/4885

“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.