SCHEMBL6679149

SCHEMBL6679149

[O-][n+]1nc(NCCN2CCOCC2)nc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
HSD17B10 Q99714 3/20 0.51
KDM4E B2RXH2 2/20 0.51
GAA P10253 2/20 0.51
LMNA P02545 4/20 0.50
TOP2A P11388 1/20 0.50
MKNK1 Q9BUB5 1/20 0.49
ACP1 P24666 1/20 0.48
POLB P06746 3/20 0.47
RAB9A P51151 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
NPC1 O15118 1/20 0.47
GLA P06280 1/20 0.47
RAD52 P43351 1/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
MITF O75030 1/20 0.46

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
SCHEMBL6679085 0.89 TOP2A (0.46) TSHRKMT2AMEN1TOP2AACP1
SCHEMBL6679541 0.88 TOP2A (0.48) TSHRTOP2AACP1ACHESMARCA2
SCHEMBL6677189 0.84 CYP1A2 (0.49) TSHRKMT2AMEN1HSD17B10KDM4E
SCHEMBL6677381 0.84 APP (0.48) TSHRKMT2AMEN1HSD17B10KDM4E
SCHEMBL6674860 0.82 PIK3CA (0.48) TSHRHSD17B10LMNAMKNK1POLB
SCHEMBL6674061 0.82 MEN1 (0.43) TSHRKMT2AMEN1HSD17B10KDM4E
SCHEMBL6674324 0.81 PIK3CA (0.48) TSHRHSD17B10KDM4ELMNAMKNK1
SCHEMBL6679544 0.81 MEN1 (0.42) TSHRKMT2AMEN1HSD17B10KDM4E
SCHEMBL6675831 0.81 GRK6 (0.43) TSHRKMT2AMEN1HSD17B10KDM4E
SCHEMBL2250349 0.81 USP2 (0.42) TSHRKMT2AMEN1HSD17B10KDM4E

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 TSHR 4551/4885KMT2A 853/4885MEN1 2339/4885

“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.