SCHEMBL1495802

SCHEMBL1495802

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
TDP1 Q9NUW8 2/20 0.41
CNR2 P34972 2/20 0.40
CYP46A1 Q9Y6A2 1/20 0.39
GRM2 Q14416 1/20 0.37
AR P10275 1/20 0.37
EGFR P00533 1/20 0.36
KDM4E B2RXH2 4/20 0.36
NFKB1 P19838 3/20 0.36
NFKB2 Q00653 3/20 0.36
RELA Q04206 3/20 0.36
GAA P10253 2/20 0.36
XDH P47989 2/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL1495543 0.92 TDP1 (0.45) CA12CA1CA2CA7CA9
SCHEMBL1495671 0.87 TDP1 (0.41) TDP1CNR2CYP46A1GRM2EGFR
SCHEMBL2171295 0.86 NOTUM (0.41) TDP1CNR2CYP46A1GRM2KDM4E
SCHEMBL1495689 0.85 KDM4E (0.43) CA12CA1CA2CA7CA9
SCHEMBL1495591 0.84 CYP46A1 (0.40) TDP1CYP46A1GRM2KDM4ENFKB1
SCHEMBL1495745 0.80 HPGD (0.45) KDM4EL3MBTL1ALDH1A1HSD17B10HPGD
SCHEMBL2186358 0.80 GRM2 (0.40) TDP1CYP46A1GRM2EGFRKDM4E
SCHEMBL1495657 0.80 CYP46A1 (0.37) TDP1CYP46A1GRM2KDM4ENFKB1
SCHEMBL7996748 0.80 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL1495703 0.79 XDH (0.35) TDP1CYP46A1GRM2KDM4EXDH

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 13 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

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 CA12 3870/4885CA1 1123/4885CA2 2994/4885
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof IL1B, ADORA2B, AVPR1B CA12 3870/4885CA1 1123/4885CA2 2994/4885

“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.