SCHEMBL9970175

SCHEMBL9970175

CC(C)(CO)CNC(=O)Nc1ccc(C(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.55
MAPT P10636 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
NPC1 O15118 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MAPK1 P28482 2/20 0.55
HTT P42858 2/20 0.55
XBP1 P17861 1/20 0.55
EPHX2 P34913 3/20 0.54
NR1H4 Q96RI1 2/20 0.54
TRPV1 Q8NER1 5/20 0.53
CNR1 P21554 1/20 0.53
TSHR P16473 1/20 0.53
PDK1 Q15118 1/20 0.49
PDK2 Q15119 1/20 0.49
PDK3 Q15120 1/20 0.49
PDK4 Q16654 1/20 0.49
EPHX1 P07099 1/20 0.48
KIF11 P52732 1/20 0.47

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
SCHEMBL19818490 0.85 RAB9A (0.60) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL9970722 0.81 MAPT (0.55) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL6387783 0.80 MAPT (0.62) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL2730172 0.79 MAPT (0.81) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL13756246 0.79 MAPT (0.81) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL9280415 0.78 CNR1 (0.60) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL23456343 0.78 MEN1 (0.74) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL598010 0.76 CNR1 (0.66) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL30831949 0.76 CNR1 (0.67) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL9970321 0.76 CNR1 (0.58) RAB9AMAPTMEN1KMT2ANPC1

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 6 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-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
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 RAB9A 3514/4885MAPT 1361/4885MEN1 3412/4885
US-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT RAB9A 3514/4885MAPT 1361/4885MEN1 3412/4885

“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.