SCHEMBL2384091

SCHEMBL2384091

COc1ccc(-c2cc(C(=O)NCc3ccc(C)nc3)cc(-c3ccc(C)cc3)c2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 4/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HDAC1 Q13547 2/20 0.52
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HCRTR1 O43613 1/20 0.49
HCRTR2 O43614 1/20 0.49
AKR1C3 P42330 2/20 0.48
NR1H4 Q96RI1 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
BLM P54132 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
SCHEMBL2382517 0.89 WDR5 (0.57) WDR5HDAC1AKR1C3AKR1C4AKR1C2
SCHEMBL2381741 0.89 AKR1C3 (0.61) WDR5HDAC1ALDH1A1L3MBTL1HCRTR1
SCHEMBL2382726 0.87 SMN1; SMN2 (0.47) WDR5SMN1; SMN2HDAC1ALDH1A1AKR1C3
SCHEMBL2171055 0.87 WDR5 (0.49) WDR5HDAC1AKR1C3AKR1C4AKR1C2
SCHEMBL2382724 0.86 AURKA (0.54) WDR5SMN1; SMN2HCRTR1HCRTR2AKR1C3
SCHEMBL2384258 0.85 AKR1C3 (0.52) WDR5SMN1; SMN2HDAC1ALDH1A1NPSR1
SCHEMBL2383585 0.85 WDR5 (0.53) WDR5HDAC1AKR1C3AKR1C4AKR1C2
SCHEMBL12757596 0.84 WDR5 (0.57) WDR5HDAC1AKR1C3AKR1C4AKR1C2
SCHEMBL7951546 0.84 WDR5 (0.55) WDR5HDAC1AKR1C3AKR1C4AKR1C2
SCHEMBL2172277 0.84 WDR5 (0.60) WDR5SMN1; SMN2HDAC1AKR1C3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133122-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-09-15 US disclosed
US-9133122-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-09-15 US disclosed
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2014-10-30 US disclosed
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2014-10-30 US disclosed
US-20110237578-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-09-29 US disclosed
US-20110237578-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-09-29 US disclosed
US-20110237578-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-09-29 US 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-20110237578-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF ADORA2B, IL1B, AVPR1B WDR5 1917/4885SMN1; SMN2 1829/4885HDAC1 560/4885
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF IL1B, ADORA2B, AVPR1B WDR5 1801/4885SMN1; SMN2 1667/4885HDAC1 442/4885

“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.