SCHEMBL6673479

SCHEMBL6673479

CCc1nc2cc(C)ccc2[n+]([O-])n1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.34
CYP1A2 P05177 1/20 0.34
KDM4E B2RXH2 7/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 4/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 2/20 0.31
HSD17B10 Q99714 1/20 0.31
NLRP3 Q96P20 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RAB9A P51151 1/20 0.31
HTR1A P08908 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL6674948 0.83 KDM4E (0.38) NQO2CYP1A2KDM4EMAPTKMT2A
SCHEMBL2775268 0.83 KDM4E (0.31) KDM4EKMT2A
SCHEMBL6676050 0.82 MAPT (0.34) NQO2CYP1A2MAPT
SCHEMBL6675614 0.80 CRHBP (0.41) NQO2CYP1A2KDM4EMAPTKMT2A
SCHEMBL5460331 0.77 ALDH1A1 (0.37) NQO2CYP1A2KDM4EMAPTKMT2A
SCHEMBL5450019 0.77 MAPT (0.38) NQO2CYP1A2KDM4EMAPTPOLB
SCHEMBL5451536 0.77 KDM4E (0.38) NQO2CYP1A2KDM4EMAPTKMT2A
SCHEMBL2777464 0.73 FGFR1 (0.40) KDM4EALDH1A1
SCHEMBL6674985 0.73 PDE5A (0.43) CYP1A2KDM4EMAPTKMT2APOLB
SCHEMBL6679132 0.72 KDM4E (0.48) KDM4EMAPTKMT2APOLBALDH1A1

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 NQO2 255/4885CYP1A2 58/4885KDM4E 1298/4885

“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.