SCHEMBL6674667

SCHEMBL6674667

Nc1nc2ccc(OCCN3CCOCC3)cc2[n+]([O-])n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
ACHE P22303 3/20 0.48
BCHE P06276 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
ADORA2A P29274 2/20 0.48
ADORA1 P30542 2/20 0.48
ADORA3 P0DMS8 1/20 0.48
ADORA2B P29275 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
FGFR1 P11362 2/20 0.47
PDGFRB P09619 1/20 0.47
KDR P35968 1/20 0.47
NPC1 O15118 2/20 0.46
LTA4H P09960 3/20 0.45

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
SCHEMBL6674330 0.87 KDM4E (0.55) KDM4EALDH1A1ACHECA12CA1
SCHEMBL6679644 0.85 ACHE (0.48) KDM4EALDH1A1ACHECA12CA1
SCHEMBL5452866 0.77 ALDH1A1 (0.41) ALDH1A1
SCHEMBL1064445 0.73 LTA4H (0.56) KDM4EALDH1A1NPC1LTA4HRAB9A
SCHEMBL2776315 0.72 ALDH1A1 (0.53) KDM4EALDH1A1FGFR1NPC1SRC
SCHEMBL5443488 0.72 ALDH1A1 (0.62) KDM4EALDH1A1ACHEBCHEMAOA
SCHEMBL11274158 0.72 ALDH1A1 (0.62) KDM4EALDH1A1CA12CA1CA2
SCHEMBL3383766 0.72 ALDH1A1 (0.65) KDM4EALDH1A1ACHEBCHEMAOA
SCHEMBL21642566 0.72 KDM4E (0.65) KDM4EALDH1A1ACHECA12CA1
SCHEMBL2776140 0.72 ALDH1A1 (0.52) KDM4EALDH1A1FGFR1SRC

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 KDM4E 1298/4885ALDH1A1 609/4885ACHE 2852/4885

“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.