SCHEMBL804138

SCHEMBL804138

CC(C)(C)OC(=O)NCCCN(CCN(CCc1ccc(Cl)cc1)C(=O)OC(C)(C)C)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C2OC(C)(C)O[C@@H]21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 4/20 0.49
EZH2 Q15910 3/20 0.48
PI4KA P42356 1/20 0.47
PI4K2B Q8TCG2 1/20 0.47
PI4K2A Q9BTU6 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
WDR5 P61964 2/20 0.45
KMT2A Q03164 2/20 0.45
RBBP5 Q15291 2/20 0.45
DPY30 Q9C005 2/20 0.45
ASH2L Q9UBL3 2/20 0.45
GNMT Q14749 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
TRDMT1 O14717 1/20 0.44
P2RX1 P51575 1/20 0.43
P2RX3 P56373 1/20 0.43
P2RX4 Q99571 1/20 0.43
NNMT P40261 3/20 0.43

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
SCHEMBL14703565 1.00 DOT1L (0.49) DOT1LEZH2PI4KAPI4K2BPI4K2A
SCHEMBL10062027 0.89 EZH2 (0.52) EZH2PI4KAPI4K2BPI4K2API4KB
SCHEMBL18609691 0.89 EZH2 (0.52) EZH2PI4KAPI4K2BPI4K2API4KB
SCHEMBL14703564 0.86 EZH2 (0.48) EZH2PI4KAPI4K2BPI4K2API4KB
SCHEMBL803942 0.86 EZH2 (0.48) EZH2PI4KAPI4K2BPI4K2API4KB
SCHEMBL18609688 0.85 EZH2 (0.47) DOT1LEZH2PI4KAPI4K2BPI4K2A
SCHEMBL15281889 0.85 EZH2 (0.47) DOT1LEZH2PI4KAPI4K2BPI4K2A
SCHEMBL9970171 0.85 DOT1L (0.56) DOT1LPI4KAPI4K2BPI4K2API4KB
SCHEMBL10062026 0.85 EZH2 (0.47) EZH2PI4KAPI4K2BPI4K2API4KB
SCHEMBL9970251 0.82 DOT1L (0.63) DOT1L

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-8895245-B2 Inhibitors of human EZH2 and methods of use thereof Epizyme, Inc. (US) 2014-11-25 US disclosed
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 DOT1L 2/4885EZH2 1/4885PI4KA 3240/4885

“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.