SCHEMBL6676065

SCHEMBL6676065

Cc1ccc2c(c1)nc(NCCN1C(C)CCCC1C)n[n+]2[O-]

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC2A1 P11166 1/20 0.33
CACNA2D1 P54289 1/20 0.33
TSHR P16473 1/20 0.32
CTNNB1 P35222 1/20 0.31
TCF7L2 Q9NQB0 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CHRM1 P11229 2/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL6678612 0.86 KMT2A (0.38) KCNH2SIGMAR1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL6833510 0.85 CACNA2D1 (0.41) KCNH2SIGMAR1SLC2A1CACNA2D1
SCHEMBL2245311 0.84 CA12 (0.34) KCNH2SIGMAR1SLC2A1CACNA2D1
SCHEMBL6678907 0.81 ACHE (0.47) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL6679179 0.80 CACNA2D1 (0.37) KCNH2SIGMAR1KDM4EHSD17B10SMN1; SMN2
SCHEMBL6677381 0.77 APP (0.48) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL6679132 0.76 KDM4E (0.48) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL6674985 0.74 PDE5A (0.43) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL2774178 0.74 KCNH2 (0.40) KCNH2SMN1; SMN2SLC2A1
SCHEMBL6677139 0.73 ACHE (0.48) ALDH1A1KDM4EHSD17B10MEN1KMT2A

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 2400/4885SIGMAR1 380/4885ALDH1A1 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.