SCHEMBL9280415

SCHEMBL9280415

CC(C)(C)c1ccc(NC(=O)NCCCO)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.60
RAB9A P51151 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NPC1 O15118 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HTT P42858 2/20 0.55
MAPT P10636 2/20 0.55
XBP1 P17861 1/20 0.55
MAPK1 P28482 1/20 0.55
EPHX2 P34913 2/20 0.54
NR1H4 Q96RI1 1/20 0.54
TRPV1 Q8NER1 3/20 0.53
TSHR P16473 1/20 0.53
KDM4E B2RXH2 2/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
CA7 P43166 1/20 0.53

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
SCHEMBL9970321 0.94 CNR1 (0.58) CNR1RAB9AMEN1KMT2ANPC1
SCHEMBL14873812 0.88 KMT2A (0.61) CNR1RAB9AMEN1KMT2ANPC1
SCHEMBL16129581 0.87 SIRT1 (0.59) CNR1RAB9AMEN1KMT2ANPC1
SCHEMBL15532876 0.86 CNR1 (0.63) CNR1RAB9AMEN1KMT2ANPC1
SCHEMBL15829520 0.86 CNR1 (0.59) CNR1RAB9AMEN1KMT2ANPC1
SCHEMBL23456343 0.84 MEN1 (0.74) CNR1RAB9AMEN1KMT2ANPC1
SCHEMBL14097983 0.84 CNR1 (0.56) CNR1RAB9AMEN1KMT2ANPC1
SCHEMBL30831949 0.83 CNR1 (0.67) CNR1RAB9AMEN1KMT2ANPC1
SCHEMBL598010 0.83 CNR1 (0.66) CNR1RAB9AMEN1KMT2ANPC1
SCHEMBL9970719 0.82 CNR1 (0.55) CNR1RAB9AMEN1KMT2ANPC1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137455-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF Epizyme, Inc. 2017-05-18 US disclosed
US-20170080010-A1 COMBINATION THERAPY FOR TREATING CANCER Epizyme, Inc. 2017-03-23 US disclosed
US-9446064-B2 Combination therapy for treating cancer Epizyme, Inc. (US) 2016-09-20 US disclosed
US-20160251390-A1 7-DEAZAPURINE MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. 2016-09-01 US disclosed
US-20160251390-A1 7-DEAZAPURINE MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. 2016-09-01 US disclosed
US-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. 2016-03-10 US disclosed
US-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. 2016-03-10 US disclosed
US-20160045531-A1 COMBINATION THERAPY FOR TREATING CANCER Epizyme, Inc. 2016-02-18 US disclosed
US-20150342979-A1 DOT1L INHIBITORS FOR USE IN THE TREATMENT OF LEUKEMIA Epizyme, Inc. 2015-12-03 US disclosed
US-20150284422-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF Epizyme, Inc. 2015-10-08 US disclosed
US-20140073597-A1 7-Deazapurine Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. (US) 2014-03-13 US disclosed
US-20130310334-A1 7-Deazapurine Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. (US) 2013-11-21 US disclosed
US-20130310334-A1 7-Deazapurine Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. (US) 2013-11-21 US disclosed
US-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. (US) 2013-11-21 US disclosed
EP-2646454-A2 7-DEAZAPURINE MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2013-10-09 EP disclosed
EP-2646455-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2013-10-09 EP disclosed
CN-103339139-A 7-deazapurine modulators of histone methyltransferase, and methods of use thereof EPIZYME INC 2013-10-02 CN disclosed
WO-2012082436-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2012-06-21 WO disclosed
WO-2012082436-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2012-06-21 WO disclosed
WO-2012075500-A2 7-DEAZAPURINE MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2012-06-07 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 (10 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-20150284422-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF DOT1L, PRMT1, CARM1 CNR1 4579/4885RAB9A 2637/4885MEN1 2681/4885
US-20140073597-A1 7-Deazapurine Modulators of Histone Methyltransferase, and Methods of Use Thereof TPMT, HNMT, EHMT1 CNR1 4471/4885RAB9A 2826/4885MEN1 3853/4885
US-20130310334-A1 7-Deazapurine Modulators of Histone Methyltransferase, and Methods of Use Thereof TPMT, HNMT, EHMT1 CNR1 4471/4885RAB9A 2826/4885MEN1 3853/4885
US-20160251390-A1 7-DEAZAPURINE MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF TPMT, HNMT, EHMT1 CNR1 4471/4885RAB9A 2826/4885MEN1 3853/4885
US-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT CNR1 4059/4885RAB9A 3514/4885MEN1 3412/4885
US-20160045531-A1 COMBINATION THERAPY FOR TREATING CANCER DOT1L, ASH1L, CARM1 CNR1 4503/4885RAB9A 2581/4885MEN1 3138/4885
US-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT CNR1 4059/4885RAB9A 3514/4885MEN1 3412/4885
US-20150342979-A1 DOT1L INHIBITORS FOR USE IN THE TREATMENT OF LEUKEMIA DOT1L, CARM1, MCL1 CNR1 4383/4885RAB9A 2086/4885MEN1 3936/4885
US-20170137455-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF DOT1L, PRMT1, CARM1 CNR1 4579/4885RAB9A 2637/4885MEN1 2681/4885
US-20170080010-A1 COMBINATION THERAPY FOR TREATING CANCER DOT1L, ASH1L, CARM1 CNR1 4503/4885RAB9A 2581/4885MEN1 3138/4885

“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.