SCHEMBL803938

SCHEMBL803938

CCCN(CC[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C2OC(C)(C)O[C@@H]21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.51
SETD2 Q9BYW2 1/20 0.51
PI4KA P42356 1/20 0.48
PI4K2B Q8TCG2 1/20 0.48
PI4K2A Q9BTU6 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
NNMT P40261 5/20 0.47
WDR5 P61964 2/20 0.47
KMT2A Q03164 2/20 0.47
RBBP5 Q15291 2/20 0.47
DPY30 Q9C005 2/20 0.47
ASH2L Q9UBL3 2/20 0.47
RXFP1 Q9HBX9 1/20 0.46
TRDMT1 O14717 2/20 0.45
GNMT Q14749 1/20 0.45
EZH2 Q15910 3/20 0.45
P2RX1 P51575 1/20 0.44
P2RX3 P56373 1/20 0.44
P2RX4 Q99571 1/20 0.44

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
SCHEMBL18592642 1.00 SMYD3 (0.51) SMYD3SETD2PI4KAPI4K2BPI4K2A
SCHEMBL14703563 1.00 SMYD3 (0.51) SMYD3SETD2PI4KAPI4K2BPI4K2A
SCHEMBL18592643 0.95 WDR5 (0.50) SMYD3SETD2PI4KAPI4K2BPI4K2A
SCHEMBL18590706 0.95 WDR5 (0.50) SMYD3SETD2PI4KAPI4K2BPI4K2A
SCHEMBL804176 0.95 WDR5 (0.50) SMYD3SETD2PI4KAPI4K2BPI4K2A
SCHEMBL14703564 0.89 EZH2 (0.48) PI4KAPI4K2BPI4K2API4KBNNMT
SCHEMBL803942 0.89 EZH2 (0.48) PI4KAPI4K2BPI4K2API4KBNNMT
SCHEMBL23120638 0.86 TRDMT1 (0.44) SMYD3PI4KAPI4K2BPI4K2API4KB
SCHEMBL23120639 0.86 TRDMT1 (0.44) SMYD3PI4KAPI4K2BPI4K2API4KB
SCHEMBL23120640 0.86 TRDMT1 (0.44) SMYD3PI4KAPI4K2BPI4K2API4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170065600-A1 INHIBITORS OF HUMAN EZH2, AND METHODS OF USE THEREOF Epizyme, Inc. 2017-03-09 US disclosed
US-9333217-B2 Inhibitors of human EZH2, and methods of use thereof Epizyme, Inc. (US) 2016-05-10 US disclosed
US-20150141362-A1 Inhibitors of Human EZH2, and Methods of Use Thereof Epizyme, Inc. 2015-05-21 US disclosed
US-8895245-B2 Inhibitors of human EZH2 and methods of use thereof Epizyme, Inc. (US) 2014-11-25 US disclosed
US-8691507-B2 Inhibitors of human EZH2 and methods of use thereof Epizyme, Inc. (US) 2014-04-08 US disclosed
US-20130303555-A1 Inhibitors of Human EZH2 and Methods of Use Thereof Epizyme, Inc. 2013-11-14 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 (4 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-20130303555-A1 Inhibitors of Human EZH2 and Methods of Use Thereof EZH2, DOT1L, PRDM7 SMYD3 88/4885SETD2 51/4885PI4KA 3382/4885
US-20120071418-A1 Inhibitors of Human EZH2 and Methods of Use Thereof EZH2, DOT1L, PRDM7 SMYD3 107/4885SETD2 54/4885PI4KA 3240/4885
US-20170065600-A1 INHIBITORS OF HUMAN EZH2, AND METHODS OF USE THEREOF EZH2, DOT1L, PRDM7 SMYD3 87/4885SETD2 49/4885PI4KA 3144/4885
US-20150141362-A1 Inhibitors of Human EZH2, and Methods of Use Thereof EZH2, DOT1L, PRDM7 SMYD3 87/4885SETD2 49/4885PI4KA 3144/4885

“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.