SCHEMBL1495543

SCHEMBL1495543

COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C)cc2C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
CYP46A1 Q9Y6A2 1/20 0.43
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
CNR2 P34972 1/20 0.40
GRM2 Q14416 1/20 0.40
GAA P10253 1/20 0.39
GRM5 P41594 1/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 4/20 0.38
KLKB1 P03952 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
HSD17B10 Q99714 2/20 0.38
XDH P47989 2/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL1495671 0.95 TDP1 (0.41) TDP1CYP46A1ALDH1A1KDM4ECNR2
SCHEMBL1495689 0.92 KDM4E (0.43) TDP1CYP46A1ALDH1A1KDM4EMAPT
SCHEMBL1495802 0.92 CA12 (0.47) TDP1CYP46A1ALDH1A1KDM4ECNR2
SCHEMBL2171295 0.91 NOTUM (0.41) TDP1CYP46A1ALDH1A1KDM4ECNR2
SCHEMBL1495591 0.89 CYP46A1 (0.40) TDP1CYP46A1ALDH1A1KDM4EGRM2
SCHEMBL1495745 0.87 HPGD (0.45) ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL2186358 0.85 GRM2 (0.40) TDP1CYP46A1ALDH1A1KDM4EGRM2
SCHEMBL1495657 0.85 CYP46A1 (0.37) TDP1CYP46A1ALDH1A1KDM4EGRM2
SCHEMBL1495703 0.84 XDH (0.35) TDP1CYP46A1KDM4EGRM2GRM5
SCHEMBL1495528 0.84 GRM2 (0.45) ALDH1A1GRM2GRM5SMN1; SMN2XDH

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2262766-B1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2015-11-11 EP disclosed
EP-2262766-B1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2015-11-11 EP disclosed
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof RENOVIS, INC. 2015-09-24 US disclosed
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof RENOVIS, INC. 2015-09-24 US disclosed
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof RENOVIS, INC. 2015-09-24 US disclosed
US-8946439-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-02-03 US disclosed
US-8946439-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-02-03 US disclosed
US-8946439-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-02-03 US disclosed
US-20110065681-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-03-17 US disclosed
US-20110065681-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-03-17 US disclosed
US-20110065681-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-03-17 US disclosed
EP-2262766-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2010-12-22 EP disclosed
WO-2009110985-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2009-09-11 WO disclosed
WO-2009110985-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2009-09-11 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-20110065681-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF IL1B, ADORA2B, AVPR1B TDP1 1775/4885CYP46A1 1394/4885ALDH1A1 1016/4885
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof IL1B, ADORA2B, AVPR1B TDP1 1775/4885CYP46A1 1394/4885ALDH1A1 1016/4885

“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.