SCHEMBL6674577

SCHEMBL6674577

COc1ccc2nc(Cl)n[n+]([O-])c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
KEAP1 Q14145 1/20 0.54
NFE2L2 Q16236 1/20 0.54
KDM4E B2RXH2 5/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
NQO2 P16083 1/20 0.41
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL2776738 0.88 CRHBP (0.43) CRHBPCRHR2KEAP1NFE2L2KDM4E
SCHEMBL5457953 0.83 APP (0.39) CRHBPCRHR2KEAP1NFE2L2ALDH1A1
SCHEMBL10612622 0.81 CRHBP (0.54) CRHBPCRHR2KEAP1NFE2L2KDM4E
SCHEMBL25074830 0.81 NPC1 (0.40) CRHBPCRHR2KEAP1NFE2L2SMN1; SMN2
SCHEMBL29864490 0.81 NPC1 (0.40) CRHBPCRHR2KEAP1NFE2L2SMN1; SMN2
SCHEMBL29864799 0.81 NPC1 (0.40) CRHBPCRHR2KEAP1NFE2L2SMN1; SMN2
SCHEMBL29864664 0.79 ALDH1A1 (0.41) KDM4EKMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL782083 0.78 ALDH1A1 (0.37) KDM4EKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL11601474 0.78 CRHBP (0.50) CRHBPCRHR2KEAP1NFE2L2KDM4E
SCHEMBL10953240 0.77 AMY1A (0.35) KDM4EKMT2AALDH1A1MEN1LMNA

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 8 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
US-5962436-A AGRICULTURE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-10-05 US disclosed
EP-0810997-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-12-10 EP disclosed
WO-1996026191-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-08-29 WO disclosed
US-4289771-A BACTERICIDES, FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-09-15 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.