SCHEMBL6691836

SCHEMBL6691836

CC(C)c1ccc2c(c1)nc(Cl)n[n+]2[O-]

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SCN4A P35499 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.32
MLKL Q8NB16 1/20 0.31
LMNA P02545 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
SCHEMBL6678645 0.81 NPC1 (0.40) NPC1RAB9ASCN4ASMN1; SMN2KDM4E
SCHEMBL5460331 0.79 ALDH1A1 (0.37) RAB9AKDM4EMEN1ALDH1A1MAPT
SCHEMBL6690674 0.78 NR4A2 (0.35) SMN1; SMN2KDM4EMEN1ALDH1A1MAPT
SCHEMBL2777013 0.75 SMN1; SMN2 (0.34) NFKB1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6673662 0.75 SCN10A (0.35) SMN1; SMN2MEN1ALDH1A1MAPTKMT2A
SCHEMBL6674249 0.72 KDM4E (0.38) NFKB1SCN4AKDM4EMEN1KMT2A
SCHEMBL6679102 0.72 FLT3 (0.39)
SCHEMBL2780525 0.72 KMT2A (0.43) NFKB1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL29864580 0.71 TDP1 (0.38) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL6679553 0.70 FLT3 (0.41) KDM4EHSD17B10LMNA

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 NFKB1 312/4885NPC1 3185/4885RAB9A 4857/4885

“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.