SCHEMBL6678874

SCHEMBL6678874

COc1ccc(-c2nc3ccccc3[n+]([O-])n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
KEAP1 Q14145 1/20 0.52
NFE2L2 Q16236 1/20 0.52
CYP1A1 P04798 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP1B1 Q16678 1/20 0.50
SYK P43405 1/20 0.49
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
PKM P14618 2/20 0.47
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 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
SCHEMBL6676030 0.84 PDE5A (0.41) CRHBPCRHR2KEAP1NFE2L2L3MBTL1
SCHEMBL6676368 0.77 CRHBP (0.49) CRHBPCRHR2KEAP1NFE2L2CYP1A2
SCHEMBL5112063 0.75 ILK (0.42) CRHBPCRHR2KEAP1NFE2L2ALDH1A1
SCHEMBL14078777 0.71 EPHX2 (0.49)
SCHEMBL16404354 0.70 CYP1A2 (0.62) CYP1A1CYP1A2CYP1B1SYKKDM4E
SCHEMBL6676223 0.70 CRHBP (0.40) CRHBPCRHR2KEAP1NFE2L2CYP1A2
SCHEMBL7646098 0.69 S1PR1 (0.66) CYP1A1CYP1A2CYP1B1SYKKDM4E
SCHEMBL23743253 0.69 MAPT (0.72) CYP1A1CYP1A2CYP1B1SYKKDM4E
SCHEMBL15010394 0.69 CRHBP (1.00) CRHBPCRHR2KEAP1NFE2L2CYP1A2
SCHEMBL16404287 0.69 CYP1A2 (0.68) CYP1A1CYP1A2CYP1B1SYKKDM4E

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 4 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 claimed
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 claimed
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 CRHBP 4700/4885CRHR2 3115/4885KEAP1 412/4885

“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.