SCHEMBL3579003

SCHEMBL3579003

COc1cc(C(=O)N2CCOCC2)cc([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.59
RAB9A P51151 4/20 0.58
ALDH1A1 P00352 6/20 0.55
MAPT P10636 4/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
GAA P10253 1/20 0.52
POLB P06746 1/20 0.52
SLC6A9 P48067 2/20 0.51
SLC6A5 Q9Y345 2/20 0.51
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
PAX8 Q06710 1/20 0.49
NPC1 O15118 1/20 0.49

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
SCHEMBL15695605 0.86 KDM4E (0.74) KDM4EL3MBTL1RAB9AALDH1A1MAPT
SCHEMBL14581172 0.86 KDM4E (0.74) KDM4EL3MBTL1RAB9AALDH1A1GAA
SCHEMBL3578368 0.86 L3MBTL1 (0.77) KDM4EL3MBTL1RAB9AALDH1A1MAPT
SCHEMBL6456595 0.85 L3MBTL1 (0.73) KDM4EL3MBTL1RAB9AALDH1A1MEN1
SCHEMBL29739616 0.84 KDM4E (0.57) KDM4EL3MBTL1RAB9AALDH1A1MAPT
SCHEMBL26633269 0.84 KDM4E (0.57) KDM4EL3MBTL1RAB9AALDH1A1MAPT
SCHEMBL30695921 0.84 KDM4E (0.57) KDM4EL3MBTL1RAB9AALDH1A1MAPT
SCHEMBL23113214 0.83 KDM4E (0.65) KDM4EL3MBTL1RAB9AALDH1A1MAPT
SCHEMBL29791413 0.81 KDM4E (0.67) KDM4EL3MBTL1RAB9AALDH1A1MAPT
SCHEMBL20679975 0.81 L3MBTL1 (0.57) KDM4EL3MBTL1ALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118076-B1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO SA (CH) 2019-09-04 EP disclosed
EP-2118076-B1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO SA (CH) 2019-09-04 EP disclosed
US-8614215-B2 Quinoxaline inhibitors of phosphoinositide-3-kinases (PI3Ks) MERCK SERONO SA (CH) 2013-12-24 US disclosed
US-20100137308-A1 Quinoxaline Compounds and Use Thereof MERCK SERONO SA (CH) 2010-06-03 US disclosed
US-20100137308-A1 Quinoxaline Compounds and Use Thereof MERCK SERONO SA (CH) 2010-06-03 US disclosed
US-20100137308-A1 Quinoxaline Compounds and Use Thereof MERCK SERONO SA (CH) 2010-06-03 US disclosed
EP-2118076-A1 QUINOXALINE COMPOUNDS AND USE THEREOF Merck Serono S.A. (CH) 2009-11-18 EP disclosed
WO-2008101979-A1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO S.A. (CH) 2008-08-28 WO disclosed
WO-2008101979-A1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO S.A. (CH) 2008-08-28 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-20100137308-A1 Quinoxaline Compounds and Use Thereof PFKP, PDXK, PF4 KDM4E 2803/4885L3MBTL1 2836/4885RAB9A 542/4885

“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.