SCHEMBL3580185

SCHEMBL3580185

COc1ccc(C=C2CCOCC2)c([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
MAPK1 P28482 4/20 0.43
MAPT P10636 7/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ACHE P22303 2/20 0.40
PTGS2 P35354 1/20 0.40
BCHE P06276 1/20 0.40
GSK3B P49841 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
PRKDC P78527 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL3582319 0.88 ALDH1A1 (0.46) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL3586175 0.86 ALDH1A1 (0.45) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL3581134 0.84 ALDH1A1 (0.43) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL3584740 0.83 ALDH1A1 (0.45) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL3582128 0.79 MAPT (0.47) ALDH1A1MAPK1MAPTKMT2AGAA
SCHEMBL3579559 0.79 ALDH1A1 (0.47) ALDH1A1MAPK1MAPTKMT2AGAA
SCHEMBL3582209 0.77 ALDH1A1 (0.37) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL3575583 0.77 ALDH1A1 (0.41) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL3584459 0.76 ALDH1A1 (0.43) ALDH1A1MAPK1MAPTGAAKDM4E
SCHEMBL3576294 0.76 ALDH1A1 (0.44) ALDH1A1MAPK1MAPTMEN1KMT2A

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 ALDH1A1 577/4885MAPK1 2681/4885MAPT 3821/4885

“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.