SCHEMBL3582128

SCHEMBL3582128

COc1ccc(C=C2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.47
RECQL P46063 2/20 0.47
ALDH1A1 P00352 13/20 0.45
MAPK1 P28482 4/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
HSP90AA1 P07900 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 1/20 0.41
MTNR1B P49286 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BAZ2B Q9UIF8 1/20 0.40

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
SCHEMBL3579559 0.91 ALDH1A1 (0.47) MAPTRECQLALDH1A1MAPK1GAA
SCHEMBL3577423 0.87 MAPT (0.46) MAPTRECQLALDH1A1MAPK1GAA
SCHEMBL3584740 0.85 ALDH1A1 (0.45) MAPTRECQLALDH1A1MAPK1GAA
SCHEMBL3582319 0.82 ALDH1A1 (0.46) MAPTRECQLALDH1A1MAPK1GAA
SCHEMBL3586175 0.81 ALDH1A1 (0.45) MAPTRECQLALDH1A1MAPK1GAA
SCHEMBL3581134 0.79 ALDH1A1 (0.43) MAPTALDH1A1MAPK1GAALMNA
SCHEMBL3580185 0.79 ALDH1A1 (0.43) MAPTALDH1A1MAPK1GAASMN1; SMN2
SCHEMBL18970182 0.78 ALDH1A1 (0.47) MAPTALDH1A1MAPK1LMNAHPGD
SCHEMBL3576294 0.74 ALDH1A1 (0.44) MAPTRECQLALDH1A1MAPK1GAA
SCHEMBL3584459 0.74 ALDH1A1 (0.43) MAPTRECQLALDH1A1MAPK1GAA

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 MAPT 3821/4885RECQL 39/4885ALDH1A1 577/4885

“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.