SCHEMBL9970513

SCHEMBL9970513

CC(C)(C)c1ccc(NC(=O)NCC2(CO)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.54
TRPV1 Q8NER1 4/20 0.54
TSHR P16473 1/20 0.54
MAPT P10636 4/20 0.53
NPC1 O15118 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MAPK1 P28482 2/20 0.53
HTT P42858 2/20 0.53
XBP1 P17861 1/20 0.53
EPHX2 P34913 3/20 0.51
NR1H4 Q96RI1 2/20 0.51
CNR1 P21554 1/20 0.51
EPHX1 P07099 1/20 0.49
KDM4E B2RXH2 1/20 0.48
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK3 Q15120 1/20 0.47
PDK4 Q16654 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
SCHEMBL9970514 0.80 TRPV1 (0.52) RAB9ATRPV1TSHRMAPTNPC1
SCHEMBL6387783 0.78 MAPT (0.62) RAB9ATRPV1TSHRMAPTNPC1
SCHEMBL13756246 0.77 MAPT (0.81) RAB9ATRPV1MAPTNPC1SMN1; SMN2
SCHEMBL2730172 0.77 MAPT (0.81) RAB9ATRPV1MAPTNPC1SMN1; SMN2
SCHEMBL19818490 0.76 RAB9A (0.60) RAB9ATRPV1TSHRMAPTNPC1
SCHEMBL9280415 0.76 CNR1 (0.60) RAB9ATRPV1TSHRMAPTNPC1
SCHEMBL9970175 0.76 RAB9A (0.55) RAB9ATRPV1TSHRMAPTNPC1
SCHEMBL23456343 0.75 MEN1 (0.74) RAB9ATRPV1TSHRMAPTNPC1
SCHEMBL23406289 0.75 RAB9A (0.66) RAB9ATRPV1TSHRMAPTNPC1
SCHEMBL13167593 0.75 TRPV1 (0.71) RAB9ATRPV1TSHRMAPTNPC1

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 3514/4885TRPV1 4824/4885TSHR 3496/4885
US-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT RAB9A 3514/4885TRPV1 4824/4885TSHR 3496/4885

“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.