SCHEMBL9936693

SCHEMBL9936693

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.59
TRPV1 Q8NER1 4/20 0.56
RAB9A P51151 3/20 0.54
MAPT P10636 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 2/20 0.54
MAPK1 P28482 2/20 0.54
HTT P42858 2/20 0.54
XBP1 P17861 1/20 0.54
EPHX2 P34913 3/20 0.53
NR1H4 Q96RI1 2/20 0.53
TSHR P16473 1/20 0.52
KDM4E B2RXH2 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA7 P43166 1/20 0.52

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
SCHEMBL9970719 0.90 CNR1 (0.55) CNR1TRPV1RAB9AMAPTSMN1; SMN2
SCHEMBL30831949 0.84 CNR1 (0.67) CNR1TRPV1RAB9AMAPTSMN1; SMN2
SCHEMBL23456343 0.83 MEN1 (0.74) CNR1TRPV1RAB9AMAPTSMN1; SMN2
SCHEMBL30831947 0.82 CNR1 (0.59) CNR1TRPV1RAB9AMAPTSMN1; SMN2
SCHEMBL598010 0.81 CNR1 (0.66) CNR1TRPV1RAB9AMAPTSMN1; SMN2
SCHEMBL9970614 0.80 MAPT (0.59) CNR1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL14873812 0.80 KMT2A (0.61) CNR1TRPV1RAB9AMAPTSMN1; SMN2
SCHEMBL9936949 0.80 CNR1 (0.60) CNR1TRPV1RAB9AMAPTSMN1; SMN2
SCHEMBL9280415 0.80 CNR1 (0.60) CNR1TRPV1RAB9AMAPTSMN1; SMN2
SCHEMBL9938209 0.80 CNR1 (0.60) CNR1TRPV1RAB9AMAPTSMN1; SMN2

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 13 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-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-9029343-B2 Modulators of histone methyltransferase, and methods of use thereof Epizyme, Inc. (US) 2015-05-12 US disclosed
US-9029343-B2 Modulators of histone methyltransferase, and methods of use thereof Epizyme, Inc. (US) 2015-05-12 US disclosed
US-9029343-B2 Modulators of histone methyltransferase, and methods of use thereof Epizyme, Inc. (US) 2015-05-12 US disclosed
WO-2014035140-A2 COMPOUNDS AND COMPOSITIONS FOR MODULATING HISTONE METHYLTRANSFERASE ACTIVITY KAINOS MEDICINE, INC. (KR) 2014-03-06 WO disclosed
WO-2014035140-A2 COMPOUNDS AND COMPOSITIONS FOR MODULATING HISTONE METHYLTRANSFERASE ACTIVITY KAINOS MEDICINE, INC. (KR) 2014-03-06 WO disclosed
US-20130310333-A1 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-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
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 CNR1 4059/4885TRPV1 4824/4885RAB9A 3514/4885
US-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT CNR1 4059/4885TRPV1 4824/4885RAB9A 3514/4885

“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.