SCHEMBL3500929

SCHEMBL3500929

CCOC(=O)c1oc2cc(Br)ccc2c1N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.67
AHR P35869 1/20 0.67
TBK1 Q9UHD2 1/20 0.56
HIF1A Q16665 2/20 0.49
PRNP P04156 1/20 0.48
HSD17B10 Q99714 2/20 0.48
TP53 P04637 2/20 0.48
PLK1 P53350 1/20 0.47
TSHR P16473 3/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 4/20 0.46
AKR1B1 P15121 1/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46

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
SCHEMBL13102768 0.89 KDM4E (0.67) KDM4EAHRHIF1AHSD17B10TP53
SCHEMBL3500416 0.89 HIF1A (0.57) KDM4EAHRTBK1HIF1APRNP
SCHEMBL25240056 0.84 KDM4E (0.67) KDM4EAHRHIF1AHSD17B10PLK1
SCHEMBL31015988 0.84 KDM4E (0.67) KDM4EAHRHIF1AHSD17B10PLK1
SCHEMBL22620634 0.84 PLK1 (0.56) KDM4EAHRTBK1HIF1APRNP
SCHEMBL18394631 0.84 KDM4E (0.67) KDM4EAHRHSD17B10TP53PLK1
SCHEMBL29433674 0.83 PLK1 (0.70) KDM4EAHRTBK1HIF1APRNP
SCHEMBL25393037 0.83 PLK1 (0.70) KDM4EAHRTBK1HIF1APRNP
SCHEMBL3498481 0.82 PLK1 (0.54) KDM4EAHRTBK1HIF1APRNP
SCHEMBL29433665 0.82 TBK1 (0.48) KDM4EAHRTBK1HIF1APRNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 EP disclosed
US-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 US disclosed
EP-1812383-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF Smithkline Beecham Corporation (US) 2007-08-01 EP disclosed
WO-2006052722-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2006-05-18 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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 KDM4E 2059/4885AHR 278/4885TBK1 2683/4885
US-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof PYGM, PYGL, GYS1 KDM4E 1970/4885AHR 4875/4885TBK1 1589/4885

“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.