SCHEMBL1135596

SCHEMBL1135596

CC(C)(C)C(=O)Oc1cccc2[nH]c(=O)c(=O)[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.47
GRIN2D O15399 7/20 0.44
GRIN3B O60391 7/20 0.44
GRIN1 Q05586 7/20 0.44
GRIN2A Q12879 7/20 0.44
GRIN2B Q13224 7/20 0.44
GRIN2C Q14957 7/20 0.44
GRIN3A Q8TCU5 7/20 0.44
CHEK1 O14757 1/20 0.43
MAPT P10636 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
ADRB2 P07550 3/20 0.39
ADRB1 P08588 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39
ADRB3 P13945 1/20 0.39

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
SCHEMBL1135824 0.83 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1135906 0.75 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30248943 0.74 ELANE (0.49) ELANEKDM4EALDH1A1GLAADRB2
SCHEMBL19335541 0.74 EPHX2 (0.62) ELANE
SCHEMBL18457608 0.74 ELANE (0.45) ELANECHEK1MAPTLMNA
SCHEMBL29607284 0.72 ELANE (0.74) ELANEMAPTALDH1A1ADRB2LMNA
SCHEMBL1135619 0.72 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14906565 0.70 ADRB2 (0.47) KDM4EALDH1A1ADRB2ADRB1MEN1
SCHEMBL1135811 0.69 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27831640 0.69 ELANE (0.46) ELANECYP1A2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2285786-B1 QUINOXALINEDIONE DERIVATIVES MERCK PATENT GMBH (DE) 2013-10-09 EP claimed
US-8329698-B2 Quinoxalinedione derivatives which are activators of AMPK-activated protein kinase MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-12-11 US claimed
JP-2011524384-A 2011-09-01 JP claimed
US-20110130404-A1 QUINOXALINEDIONE DERIVATIVES MERCK PATENT GMBH (DE) 2011-06-02 US claimed
EP-2285786-A1 QUINOXALINEDIONE DERIVATIVES Merck Patent GmbH (DE) 2011-02-23 EP claimed
WO-2009152909-A1 QUINOXALINEDIONE DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-23 WO claimed
US-8674097-B2 Quinoxalinedione derivatives useful as activators of AMPK-activated protein kinase MERCK PATENT GMBH (DE) 2014-03-18 US disclosed
EP-2285786-B1 QUINOXALINEDIONE DERIVATIVES MERCK PATENT GMBH (DE) 2013-10-09 EP disclosed
US-20120322806-A1 QUINOXALINEDIONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-20 US disclosed
US-8329698-B2 Quinoxalinedione derivatives which are activators of AMPK-activated protein kinase MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-12-11 US disclosed
US-20110130404-A1 QUINOXALINEDIONE DERIVATIVES MERCK PATENT GMBH (DE) 2011-06-02 US disclosed
EP-2285786-A1 QUINOXALINEDIONE DERIVATIVES Merck Patent GmbH (DE) 2011-02-23 EP disclosed
WO-2009152909-A1 QUINOXALINEDIONE DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-23 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 (2 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-20110130404-A1 QUINOXALINEDIONE DERIVATIVES GLP1R, GPR119, NDUFS3 ELANE 2633/4885GRIN2D 2417/4885GRIN3B 3796/4885
US-20120322806-A1 QUINOXALINEDIONE DERIVATIVES GLP1R, GPR119, NDUFS3 ELANE 2633/4885GRIN2D 2417/4885GRIN3B 3796/4885

“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.