SCHEMBL6674064

SCHEMBL6674064

COCCOc1nc2ccccc2[n+]([O-])n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
MPO P05164 1/20 0.37
LDHA P00338 1/20 0.35
KDM1A O60341 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
NCF1 P14598 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
TLR7 Q9NYK1 3/20 0.33
PDE10A Q9Y233 1/20 0.32
NUDT1 P36639 1/20 0.32
MAPT P10636 1/20 0.32
MALT1 Q9UDY8 1/20 0.32
NQO2 P16083 1/20 0.32

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
SCHEMBL11653613 0.85 TLR8 (0.41) TSHRCRHBPCRHR2KEAP1NFE2L2
SCHEMBL6676368 0.80 CRHBP (0.49) TSHRCRHBPCRHR2KEAP1NFE2L2
SCHEMBL6674365 0.79 CRHBP (0.39) TSHRCRHBPCRHR2KEAP1NFE2L2
SCHEMBL6679158 0.77 KCNH3 (0.48) LDHAALDH1A1HPGDNCF1KDM4E
SCHEMBL6679523 0.77 KDM4E (0.38) TSHRCRHBPCRHR2KEAP1NFE2L2
SCHEMBL716117 0.71 TSHR (0.50) TSHRMPOLDHAKDM1AALDH1A1
Hydrochloric Acid SCHEMBL27476977 0.70 TSHR (0.49) TSHRMPOLDHAKDM1AALDH1A1
SCHEMBL6676223 0.70 CRHBP (0.40) CRHBPCRHR2KEAP1NFE2L2ALDH1A1
SCHEMBL6673749 0.69 CRHBP (0.37) TSHRCRHBPCRHR2KEAP1NFE2L2
SCHEMBL27945207 0.69 TSHR (0.55) TSHRMPOKDM1AALDH1A1HPGD

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 TSHR 4551/4885CRHBP 4700/4885CRHR2 3115/4885

“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.