SCHEMBL9937672

SCHEMBL9937672

CC(C)c1ccc(NC(=O)NCCCN(C)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)cc1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 17/20 0.82
DNMT1 P26358 1/20 0.72
EZH2 Q15910 1/20 0.61
AMD1 P17707 1/20 0.58

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
SCHEMBL9937669 1.00 DOT1L (0.82) DOT1LDNMT1EZH2AMD1
SCHEMBL17568799 1.00 DOT1L (0.82) DOT1LDNMT1EZH2AMD1
SCHEMBL17568800 0.93 DOT1L (0.84) DOT1LDNMT1EZH2AMD1
SCHEMBL9937269 0.93 DOT1L (0.84) DOT1LDNMT1EZH2AMD1
SCHEMBL9937271 0.93 DOT1L (0.84) DOT1LDNMT1EZH2AMD1
SCHEMBL19111253 0.92 DOT1L (0.85) DOT1LDNMT1EZH2AMD1
SCHEMBL19124966 0.92 DOT1L (0.85) DOT1LDNMT1EZH2AMD1
SCHEMBL17568803 0.90 DOT1L (1.00) DOT1LDNMT1
SCHEMBL17568779 0.90 DOT1L (1.00) DOT1LDNMT1
SCHEMBL9937052 0.90 DOT1L (1.00) DOT1LDNMT1

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-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. 2016-03-10 US disclosed
US-9029343-B2 Modulators of histone methyltransferase, and methods of use thereof Epizyme, Inc. (US) 2015-05-12 US disclosed
US-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. (US) 2013-11-21 US disclosed
EP-2646455-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2013-10-09 EP disclosed
WO-2012082436-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2012-06-21 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-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT DOT1L 4/4885DNMT1 11/4885EZH2 7/4885
US-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT DOT1L 4/4885DNMT1 11/4885EZH2 7/4885

“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.