SCHEMBL9937346

SCHEMBL9937346

CCOC(=O)CCNC(=O)Nc1ccc(C(C)(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
MAPT P10636 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 2/20 0.56
CNR1 P21554 1/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 2/20 0.51
PTPN7 P35236 1/20 0.49
TRPV1 Q8NER1 4/20 0.49
RAB9A P51151 2/20 0.49
MAPK1 P28482 2/20 0.49
NPC1 O15118 1/20 0.49
XBP1 P17861 1/20 0.49
HTT P42858 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA7 P43166 1/20 0.48

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
SCHEMBL15750291 0.90 ALDH1A1 (0.71) ALDH1A1MAPTSMN1; SMN2LMNACNR1
SCHEMBL27519540 0.83 ALDH1A1 (0.82) ALDH1A1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL3036382 0.83 MAPT (0.54) ALDH1A1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL9938209 0.81 CNR1 (0.60) MAPTSMN1; SMN2LMNACNR1MEN1
SCHEMBL9936949 0.81 CNR1 (0.60) MAPTSMN1; SMN2CNR1MEN1KMT2A
SCHEMBL23456343 0.81 MEN1 (0.74) ALDH1A1MAPTSMN1; SMN2CNR1MEN1
SCHEMBL9867948 0.81 ALDH1A1 (0.61) ALDH1A1MAPTLMNAKMT2AKDM4E
SCHEMBL1775078 0.79 TSHR (0.66) ALDH1A1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL14873812 0.79 KMT2A (0.61) ALDH1A1MAPTSMN1; SMN2LMNACNR1
SCHEMBL16839648 0.78 LMNA (0.52) MAPTSMN1; SMN2LMNAMEN1KMT2A

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 11 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
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 ALDH1A1 1412/4885MAPT 1361/4885SMN1; SMN2 1750/4885
US-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT ALDH1A1 1412/4885MAPT 1361/4885SMN1; SMN2 1750/4885

“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.