SCHEMBL15056743

SCHEMBL15056743

COc1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 1.00
L3MBTL1 Q9Y468 5/20 1.00
LMNA P02545 5/20 1.00
ALDH1A1 P00352 5/20 1.00
TDP1 Q9NUW8 2/20 1.00
NPSR1 Q6W5P4 2/20 1.00
GAA P10253 2/20 0.62
ADORA2A P29274 2/20 0.61
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ACACA Q13085 1/20 0.57
MAPK1 P28482 2/20 0.56
RECQL P46063 1/20 0.56
MAPT P10636 1/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54

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
SCHEMBL6339578 0.96 KDM4E (0.92) KDM4EL3MBTL1LMNAALDH1A1TDP1
SCHEMBL30696080 0.96 KDM4E (0.92) KDM4EL3MBTL1LMNAALDH1A1TDP1
SCHEMBL12062005 0.85 ALDH1A1 (0.76) KDM4EL3MBTL1LMNAALDH1A1TDP1
SCHEMBL31070199 0.85 KDM4E (0.74) KDM4EL3MBTL1LMNAALDH1A1TDP1
SCHEMBL8009508 0.85 KDM4E (0.74) KDM4EL3MBTL1LMNAALDH1A1TDP1
SCHEMBL8112450 0.85 KDM4E (0.74) KDM4EL3MBTL1LMNAALDH1A1TDP1
SCHEMBL14211963 0.85 KDM4E (0.73) KDM4EL3MBTL1LMNAALDH1A1TDP1
SCHEMBL12341701 0.84 ALDH1A1 (0.71) KDM4EL3MBTL1LMNAALDH1A1TDP1
SCHEMBL12964202 0.84 KMT2A (0.73) KDM4EL3MBTL1LMNAALDH1A1TDP1
SCHEMBL15561039 0.84 LMNA (0.72) KDM4EL3MBTL1LMNAALDH1A1TDP1

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-2797417-B1 SELECTIVE INHIBITION OF PHOSPHOENOLPYRUVATE CARBOXYLASES OF C4 PLANTS HEINRICH HEINE UNIV DUESSELDORF (DE) 2019-07-31 EP disclosed
EP-2797417-B1 SELECTIVE INHIBITION OF PHOSPHOENOLPYRUVATE CARBOXYLASES OF C4 PLANTS HEINRICH HEINE UNIV DUESSELDORF (DE) 2019-07-31 EP disclosed
CN-105693632-B A kind of preparation method of polysubstituted quinoxaline derivant 华侨大学 2018-04-17 CN disclosed
CN-105693632-A Preparation method of polysubstitution quinoxalin derivatives 华侨大学 2016-06-22 CN disclosed
US-20150216167-A1 SELECTIVE INHIBITION OF C4-PEP CARBOXYLASES HEINRICH HEINE UNIVERSITAT DUSSELDORF (DE) 2015-08-06 US disclosed
US-20150216167-A1 SELECTIVE INHIBITION OF C4-PEP CARBOXYLASES HEINRICH HEINE UNIVERSITAT DUSSELDORF (DE) 2015-08-06 US disclosed
EP-2797417-A1 SELECTIVE INHIBITION OF PHOSPHOENOLPYRUVATE CARBOXYLASES OF C4 PLANTS Heinrich-Heine-Universität Düsseldorf (DE) 2014-11-05 EP disclosed
WO-2013093007-A1 SELECTIVE INHIBITION OF PHOSPHOENOLPYRUVATE CARBOXYLASES OF C4 PLANTS HEINRICH HEINE UNIVERSITÄT DÜSSELDORF (DE) 2013-06-27 WO disclosed
WO-2013093007-A1 SELECTIVE INHIBITION OF PHOSPHOENOLPYRUVATE CARBOXYLASES OF C4 PLANTS HEINRICH HEINE UNIVERSITÄT DÜSSELDORF (DE) 2013-06-27 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-20150216167-A1 SELECTIVE INHIBITION OF C4-PEP CARBOXYLASES CBR3, GRHPR, PCK1 KDM4E 559/4885L3MBTL1 2001/4885LMNA 4654/4885

“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.