SCHEMBL5457953

SCHEMBL5457953

COCCOc1ccc2nc(Cl)n[n+]([O-])c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.39
PDE2A O00408 2/20 0.38
PDE10A Q9Y233 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
KDR P35968 2/20 0.37
FGFR1 P11362 1/20 0.37
FLT1 P17948 1/20 0.37
CBFB Q13951 2/20 0.36
FBP1 P09467 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SYK P43405 1/20 0.35
MIF P14174 3/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL5455329 0.84 MIF (0.39) APPPDE2APDE10ACRHBPCRHR2
SCHEMBL5452866 0.84 ALDH1A1 (0.41) APPPDE2APDE10ACRHBPCRHR2
SCHEMBL6674577 0.83 CRHBP (0.54) CRHBPCRHR2KEAP1NFE2L2ALDH1A1
SCHEMBL6675992 0.83 APP (0.38) APPPDE2APDE10ACRHBPCRHR2
SCHEMBL6674330 0.77 KDM4E (0.55) PDE2AFGFR1ALDH1A1
SCHEMBL5450956 0.76 EGFR (0.40) ALDH1A1LMNAMAPK1HIF1ANCF1
SCHEMBL25074830 0.74 NPC1 (0.40) PDE10ACRHBPCRHR2KEAP1NFE2L2
SCHEMBL2780525 0.74 KMT2A (0.43) CBFBALDH1A1HSD17B10LMNA
SCHEMBL17980653 0.73 MIF (0.48) APPPDE2APDE10ACBFBALDH1A1
SCHEMBL21707868 0.72 ALDH1A1 (0.48) APPPDE2APDE10AKDRFGFR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191372-A1 Dna-targeted benzotriazine 1,4-dioxides and their use in cancer therapy AUCKLAND UNISERVICES LIMITED (NZ) 2007-08-16 US disclosed
US-20070191372-A1 Dna-targeted benzotriazine 1,4-dioxides and their use in cancer therapy AUCKLAND UNISERVICES LIMITED (NZ) 2007-08-16 US disclosed
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
WO-2004026846-A1 DNA-TARGETED BENZOTRIAZINE 1,4-DIOXIDES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2004-04-01 WO 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 (2 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-20070191372-A1 Dna-targeted benzotriazine 1,4-dioxides and their use in cancer therapy HIF1AN, HIF1A, HYOU1 APP 4502/4885PDE2A 2287/4885PDE10A 3957/4885
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 APP 4521/4885PDE2A 2588/4885PDE10A 3696/4885

“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.