SCHEMBL1495800

SCHEMBL1495800

Cc1ccc(-c2cc(C(=O)O)cc(C(=O)N3CC(O)C3)c2)c(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 9/20 0.41
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP46A1 Q9Y6A2 1/20 0.37
PDK2 Q15119 3/20 0.36
GRM2 Q14416 1/20 0.36
PDK1 Q15118 1/20 0.36
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35

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
SCHEMBL1495535 0.86 KDM1A (0.38) KDM1AALDH1A1L3MBTL1CYP46A1
SCHEMBL1495477 0.86 HPGD (0.45) KDM1AMEN1KMT2AL3MBTL1
SCHEMBL1495528 0.84 GRM2 (0.45) ALDH1A1GRM2
SCHEMBL8009395 0.83 CYP46A1 (0.39) KDM1AALDH1A1CYP46A1PDK2KDM4C
SCHEMBL1495725 0.80 DHODH (0.50) ALDH1A1PDK2
SCHEMBL1495361 0.78 WDR5 (0.41) KDM1AALDH1A1PDK2PDK1
SCHEMBL1495671 0.76 TDP1 (0.41) ALDH1A1CYP46A1GRM2
SCHEMBL1495480 0.75 P2RX3 (0.43) KDM1APDK2PDK1
SCHEMBL1495745 0.75 HPGD (0.45) KDM1AALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL1495626 0.74 CYP2C9 (0.44) ALDH1A1MEN1KMT2AL3MBTL1GRM2

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
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof RENOVIS, INC. 2015-09-24 US claimed
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 KDM1A 2778/4885ALDH1A1 1016/4885MEN1 2911/4885
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof IL1B, ADORA2B, AVPR1B KDM1A 2778/4885ALDH1A1 1016/4885MEN1 2911/4885

“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.