SCHEMBL9970514

SCHEMBL9970514

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.52
RAB9A P51151 4/20 0.52
TSHR P16473 1/20 0.52
MAPT P10636 3/20 0.50
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 2/20 0.50
HTT P42858 2/20 0.50
XBP1 P17861 1/20 0.50
CNR1 P21554 1/20 0.49
EPHX2 P34913 3/20 0.49
NR1H4 Q96RI1 2/20 0.49
EPHX1 P07099 1/20 0.47
KDM4E B2RXH2 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44

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
SCHEMBL16928127 0.81 P2RX7 (0.54) RAB9ATSHRMAPTNPC1SMN1; SMN2
SCHEMBL9970513 0.80 RAB9A (0.54) TRPV1RAB9ATSHRMAPTNPC1
SCHEMBL9970722 0.77 MAPT (0.55) TRPV1RAB9ATSHRMAPTNPC1
SCHEMBL6387783 0.76 MAPT (0.62) TRPV1RAB9ATSHRMAPTNPC1
SCHEMBL9936693 0.75 CNR1 (0.59) TRPV1RAB9ATSHRMAPTNPC1
SCHEMBL13756246 0.75 MAPT (0.81) TRPV1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL2730172 0.75 MAPT (0.81) TRPV1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL19818490 0.74 RAB9A (0.60) TRPV1RAB9ATSHRMAPTNPC1
SCHEMBL23456343 0.73 MEN1 (0.74) TRPV1RAB9ATSHRMAPTNPC1
SCHEMBL23406289 0.72 RAB9A (0.66) TRPV1RAB9ATSHRMAPTNPC1

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