SCHEMBL8739677

SCHEMBL8739677

CC1(C)CC(NOC(=O)c2ccc(COc3ccncc3)cc2)CC(C)(C)N1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 3/20 0.58
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
POLB P06746 2/20 0.47
RECQL P46063 1/20 0.47
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
SLC2A1 P11166 1/20 0.42
RAB9A P51151 4/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PKM P14618 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
ADAM17 P78536 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
SCHEMBL8739679 0.88 EZH2 (0.57) EZH2MEN1KMT2AMAPTPOLB
SCHEMBL8739028 0.85 EZH2 (0.80) EZH2MEN1KMT2AMAPTPOLB
SCHEMBL8738221 0.76 EZH2 (0.80) EZH2MEN1KMT2AMAPTPOLB
SCHEMBL17507679 0.75 GAA (0.63) EZH2MEN1KMT2AMAPTPOLB
SCHEMBL8738966 0.74 EZH2 (0.69) EZH2MEN1KMT2AMAPTPOLB
SCHEMBL8738997 0.73 EZH2 (1.00) EZH2MEN1KMT2AMAPTPOLB
SCHEMBL8739245 0.73 EZH2 (0.77) EZH2MEN1KMT2AMAPTPOLB
SCHEMBL8738962 0.73 EZH2 (0.81) EZH2MEN1KMT2AMAPTPOLB
SCHEMBL8738237 0.73 EZH2 (0.81) EZH2MEN1KMT2AMAPTPOLB
SCHEMBL8738695 0.71 EZH2 (0.91) EZH2GAASLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130310379-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-11-21 US disclosed
WO-2012068589-A2 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2012-05-24 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-20130310379-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 EZH2 61/4885MEN1 2650/4885KMT2A 84/4885

“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.