SCHEMBL6673718

SCHEMBL6673718

N#CCCCNc1nc2ccccc2[n+]([O-])n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
MERTK Q12866 1/20 0.35
BCHE P06276 2/20 0.33
TRPC3 Q13507 1/20 0.33
TRPC4 Q9UBN4 1/20 0.33
TRPC5 Q9UL62 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.33
CASP6 P55212 2/20 0.33
POLB P06746 1/20 0.32
MMP14 P50281 1/20 0.32
BLM P54132 1/20 0.32
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL6673522 0.92 ALDH1A1 (0.36) IDO1MERTKBCHEKDM4EALDH1A1
SCHEMBL6679187 0.85 IDO1 (0.37) IDO1MERTKBCHETRPC3TRPC4
SCHEMBL6676039 0.82 RAD52 (0.48) IDO1MERTKKDM4EALDH1A1MEN1
SCHEMBL14428355 0.80 NPY1R (0.44) IDO1ACHE
SCHEMBL14428353 0.80 KCNH3 (0.47) IDO1BCHETRPC3TRPC4TRPC5
SCHEMBL6365368 0.79 POLB (0.49) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL6675510 0.78 RAD52 (0.51) ALDH1A1KMT2ARAB9ANPC1POLB
SCHEMBL6679140 0.77 IDO1 (0.38) IDO1BCHEKDM4EALDH1A1MEN1
SCHEMBL5450923 0.76 IDO1 (0.46) IDO1KDM4EALDH1A1MAPTCASP6
SCHEMBL6366253 0.76 TSHR (0.53) BCHEKMT2AMAPTRAB9ANPC1

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 IDO1 759/4885MERTK 1504/4885BCHE 3216/4885

“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.