SCHEMBL6673282

SCHEMBL6673282

Nc1nc2ccc(OCCBr)cc2[n+]([O-])n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.38
NCF1 P14598 8/20 0.38
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
MAPT P10636 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
LMNA P02545 2/20 0.32
TSHR P16473 2/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL5452866 0.86 ALDH1A1 (0.41) APPNCF1ALDH1A1HSD17B10CASP1
SCHEMBL10610430 0.84 ALDH1A1 (0.47) ALDH1A1HSD17B10MAPTNPC1RAB9A
SCHEMBL10612622 0.80 CRHBP (0.54) APPNCF1ALDH1A1HSD17B10CASP1
SCHEMBL6674667 0.79 KDM4E (0.49) ALDH1A1NPC1RAB9A
SCHEMBL5459657 0.78 EGFR (0.38) NCF1ALDH1A1LMNA
SCHEMBL5108856 0.78 NCF1 (0.41) APPNCF1ALDH1A1HSD17B10CASP1
SCHEMBL25244133 0.76 NPC1 (0.47) HSD17B10NPC1RAB9ASMN1; SMN2CRHBP
SCHEMBL14806555 0.76 CRHBP (0.38) ALDH1A1HSD17B10CASP1NPC1RAB9A
SCHEMBL5112463 0.75 NOS3 (0.39) NCF1ALDH1A1LMNA
SCHEMBL781713 0.74 PABPC1 (0.47) APPALDH1A1MAPT

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 APP 4521/4885NCF1 100/4885ALDH1A1 609/4885

“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.