SCHEMBL6934708

SCHEMBL6934708

COc1ccc2nc(OC)c(OC)nc2c1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
TDP1 Q9NUW8 3/20 0.45
POLB P06746 3/20 0.45
KDM4E B2RXH2 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
MAPK1 P28482 1/20 0.38
BLM P54132 1/20 0.38
ATM Q13315 1/20 0.38
PDGFRB P09619 2/20 0.38
PDGFRA P16234 2/20 0.38
NQO2 P16083 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
SCHEMBL27438102 0.75 MEN1 (0.55) MEN1KMT2ATDP1POLBL3MBTL1
SCHEMBL1179747 0.75 TDP1 (0.62) MEN1KMT2ATDP1POLBKDM4E
SCHEMBL29396391 0.75 TDP1 (0.62) MEN1KMT2ATDP1POLBKDM4E
SCHEMBL7678635 0.75 GLP1R (0.50) MEN1KMT2A
SCHEMBL6932438 0.75 ALDH1A1 (0.41) MEN1KMT2ATDP1POLBALDH1A1
SCHEMBL4158236 0.74 MEN1 (0.47) MEN1KMT2ATDP1POLBKDM4E
SCHEMBL7103967 0.71 TDP1 (0.51) MEN1KMT2ATDP1POLBL3MBTL1
SCHEMBL1335613 0.71 ALDH1A1 (0.69) MEN1KMT2ATDP1POLBKDM4E
SCHEMBL7483023 0.71 MEN1 (0.53) MEN1KMT2ATDP1POLBKDM4E
SCHEMBL415237 0.71 TDP1 (0.53) MEN1KMT2ATDP1POLBKDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030207886-A1 Preparation containing quinoxaline derivatives MERCK PATENT GMBH (DE) 2003-11-06 US claimed
EP-1267819-A2 PREPARATION CONTAINING QUINOXALINE DERIVATIVES MERCK PATENT GmbH (DE) 2003-01-02 EP claimed
WO-2001068047-A2 PREPARATION CONTAINING QUINOXALINE DERIVATIVES MERCK PATENT GMBH (DE) 2001-09-20 WO claimed
US-20030207886-A1 Preparation containing quinoxaline derivatives MERCK PATENT GMBH (DE) 2003-11-06 US disclosed
EP-1267819-A2 PREPARATION CONTAINING QUINOXALINE DERIVATIVES MERCK PATENT GmbH (DE) 2003-01-02 EP disclosed
WO-2001068047-A2 PREPARATION CONTAINING QUINOXALINE DERIVATIVES MERCK PATENT GMBH (DE) 2001-09-20 WO 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-20030207886-A1 Preparation containing quinoxaline derivatives CUTA, XPA, NQO2 MEN1 942/4885KMT2A 1791/4885TDP1 1899/4885

“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.