SCHEMBL10061380

SCHEMBL10061380

C[C@H](O)[C@H](O)C(CN(CCNCCc1ccc(Cl)cc1)CCC(N)C(=O)O)OCn1cnc2c(N)ncnc21

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 3/20 0.61
TRDMT1 O14717 5/20 0.48
WDR5 P61964 2/20 0.46
KMT2A Q03164 2/20 0.46
RBBP5 Q15291 2/20 0.46
DPY30 Q9C005 2/20 0.46
ASH2L Q9UBL3 2/20 0.46
NNMT P40261 6/20 0.43
SMYD3 Q9H7B4 1/20 0.40
SETD2 Q9BYW2 1/20 0.40
DOT1L Q8TEK3 1/20 0.40
PRMT1 Q99873 1/20 0.40

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
SCHEMBL16256998 0.84 EZH2 (0.61) EZH2TRDMT1WDR5KMT2ARBBP5
SCHEMBL18609767 0.84 EZH2 (0.61) EZH2TRDMT1WDR5KMT2ARBBP5
SCHEMBL15281887 0.76 EZH2 (1.00) EZH2TRDMT1WDR5KMT2ARBBP5
SCHEMBL17484640 0.76 EZH2 (1.00) EZH2TRDMT1WDR5KMT2ARBBP5
SCHEMBL20612160 0.76 EZH2 (1.00) EZH2TRDMT1WDR5KMT2ARBBP5
SCHEMBL469241 0.76 EZH2 (1.00) EZH2TRDMT1WDR5KMT2ARBBP5
SCHEMBL18609673 0.76 EZH2 (1.00) EZH2TRDMT1WDR5KMT2ARBBP5
SCHEMBL14706086 0.76 EZH2 (1.00) EZH2TRDMT1WDR5KMT2ARBBP5
SCHEMBL21338044 0.76 EZH2 (0.79) EZH2TRDMT1WDR5KMT2ARBBP5
SCHEMBL805652 0.76 EZH2 (0.91) EZH2TRDMT1WDR5KMT2ARBBP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071418-A1 Inhibitors of Human EZH2 and Methods of Use Thereof Epizyme, Inc. (US) 2012-03-22 US 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-20120071418-A1 Inhibitors of Human EZH2 and Methods of Use Thereof EZH2, DOT1L, PRDM7 EZH2 1/4885TRDMT1 147/4885WDR5 163/4885

“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.