SCHEMBL6674948

SCHEMBL6674948

Cc1ccc2c(c1)nc(CCO)n[n+]2[O-]

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.38
HSD17B10 Q99714 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
NQO2 P16083 1/20 0.32
CYP1A2 P05177 1/20 0.32
RAB9A P51151 2/20 0.32
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 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
SCHEMBL6673479 0.83 NQO2 (0.34) KDM4EHSD17B10ALDH1A1MAPTKMT2A
SCHEMBL6680409 0.78 POLB (0.39) KDM4EALDH1A1MAPTKMT2APOLB
SCHEMBL6676050 0.78 MAPT (0.34) MAPTNQO2CYP1A2
SCHEMBL6679132 0.77 KDM4E (0.48) KDM4EHSD17B10ALDH1A1MAPTKMT2A
SCHEMBL5451536 0.76 KDM4E (0.38) KDM4EHSD17B10ALDH1A1MAPTKMT2A
SCHEMBL5450019 0.73 MAPT (0.38) KDM4EHSD17B10ALDH1A1MAPTPOLB
SCHEMBL5460331 0.73 ALDH1A1 (0.37) KDM4EALDH1A1MAPTKMT2APOLB
SCHEMBL5461511 0.70 POLB (0.37) KDM4EALDH1A1MAPTKMT2APOLB
SCHEMBL6674985 0.70 PDE5A (0.43) KDM4EHSD17B10ALDH1A1MAPTKMT2A
SCHEMBL2774178 0.67 KCNH2 (0.40) POLBSMN1; SMN2

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 1298/4885HSD17B10 2327/4885ALDH1A1 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.