SCHEMBL6679544

SCHEMBL6679544

CC(C)c1ccc2c(c1)nc(NCCN1CCOCC1)n[n+]2[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
TSHR P16473 2/20 0.41
GRK6 P43250 1/20 0.41
LMNA P02545 2/20 0.40
MKNK1 Q9BUB5 2/20 0.39
RAB9A P51151 1/20 0.39
BACE1 P56817 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MITF O75030 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
SMARCA2 P51531 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ACP1 P24666 1/20 0.39
EGFR P00533 1/20 0.38

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
SCHEMBL6676198 0.89 ACHE (0.38) MEN1KMT2ABCHEACHELMNA
SCHEMBL6677381 0.86 APP (0.48) MEN1KMT2ABCHEACHETSHR
SCHEMBL6674324 0.83 PIK3CA (0.48) TSHRLMNAMKNK1RAB9ABACE1
SCHEMBL6675831 0.83 GRK6 (0.43) MEN1KMT2ABCHEACHETSHR
SCHEMBL6674061 0.83 MEN1 (0.43) MEN1KMT2ABCHEACHETSHR
SCHEMBL6679149 0.81 TSHR (0.55) MEN1KMT2ABCHEACHETSHR
SCHEMBL2777052 0.80 ALDH1A1 (0.52) MEN1KMT2ABCHEACHELMNA
SCHEMBL2250349 0.79 USP2 (0.42) MEN1KMT2ABCHEACHETSHR
SCHEMBL2776923 0.78 TRPC5 (0.46) KMT2ATSHRGRK6LMNARAB9A
SCHEMBL6674860 0.78 PIK3CA (0.48) TSHRLMNAMKNK1RAB9ABACE1

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 MEN1 2339/4885KMT2A 853/4885BCHE 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.