SCHEMBL6677189

SCHEMBL6677189

Cc1cccc2nc(NCCN3CCOCC3)n[n+]([O-])c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.49
CYP3A4 P08684 5/20 0.49
HSD17B10 Q99714 5/20 0.49
CYP2D6 P10635 4/20 0.49
TDP1 Q9NUW8 2/20 0.49
GRK6 P43250 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 4/20 0.46
CYP2C19 P33261 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
HIF1A Q16665 2/20 0.46
ALDH1A1 P00352 2/20 0.46
ELANE P08246 1/20 0.46
PIK3CA P42336 1/20 0.45
MTOR P42345 1/20 0.45
USP2 O75604 2/20 0.44
ALOX15 P16050 2/20 0.44
LMNA P02545 2/20 0.44
TOP2A P11388 1/20 0.44

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
SCHEMBL6674578 0.89 SRC (0.43) HSD17B10GRK6TOP2AACHEKDM4E
SCHEMBL6679149 0.84 TSHR (0.55) CYP1A2CYP3A4HSD17B10CYP2D6TDP1
SCHEMBL6674061 0.81 MEN1 (0.43) CYP1A2CYP3A4HSD17B10CYP2D6TDP1
SCHEMBL6677381 0.80 APP (0.48) CYP1A2CYP3A4HSD17B10CYP2D6GRK6
SCHEMBL6679179 0.77 CACNA2D1 (0.37) HSD17B10CYP2D6KDM4EHPGD
SCHEMBL6675831 0.75 GRK6 (0.43) HSD17B10GRK6MEN1KMT2ATSHR
SCHEMBL6679544 0.75 MEN1 (0.42) CYP3A4HSD17B10CYP2D6GRK6MEN1
SCHEMBL6674324 0.75 PIK3CA (0.48) CYP1A2CYP3A4HSD17B10CYP2D6TSHR
SCHEMBL6674890 0.75 NCF1 (0.41) KMT2ACYP2C19ELANETOP2AMKNK1
SCHEMBL2250349 0.75 USP2 (0.42) CYP3A4HSD17B10GRK6MEN1KMT2A

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 CYP1A2 58/4885CYP3A4 179/4885HSD17B10 2327/4885

“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.