SCHEMBL6677381

SCHEMBL6677381

Cc1ccc2c(c1)nc(NCCN1CCOCC1)n[n+]2[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.48
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
PIK3CA P42336 2/20 0.46
MTOR P42345 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 2/20 0.46
EGFR P00533 1/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
HSD17B10 Q99714 3/20 0.44
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
GRK6 P43250 1/20 0.42

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
SCHEMBL2777052 0.94 ALDH1A1 (0.52) APPBCHEACHEEGFRKMT2A
SCHEMBL6678907 0.89 ACHE (0.47) APPBCHEACHETSHRKMT2A
SCHEMBL6674061 0.88 MEN1 (0.43) APPBCHEACHEPIK3CAMTOR
SCHEMBL6674324 0.86 PIK3CA (0.48) PIK3CAMTORCYP3A4CYP2D6TSHR
SCHEMBL6675831 0.86 GRK6 (0.43) APPBCHEACHETSHRKMT2A
SCHEMBL6674637 0.86 ALDH1A1 (0.53) APPBCHEACHEKMT2AMEN1
SCHEMBL6679544 0.86 MEN1 (0.42) BCHEACHEPIK3CAMTORCYP3A4
SCHEMBL6679149 0.84 TSHR (0.55) BCHEACHECYP3A4CYP2D6TSHR
SCHEMBL2250349 0.81 USP2 (0.42) APPBCHEACHECYP3A4TSHR
SCHEMBL6674272 0.81 ALDH1A1 (0.47) KMT2AMEN1HSD17B10ALDH1A1KDM4E

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 4521/4885BCHE 3216/4885ACHE 2852/4885

“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.