SCHEMBL2591611

SCHEMBL2591611

COc1ccc(-c2cccc3c2CNC3=O)c(OCC(C)C)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CLK4 Q9HAZ1 3/20 0.38
CDK5 Q00535 2/20 0.38
DYRK1A Q13627 2/20 0.38
ROCK1 Q13464 2/20 0.38
PIM1 P11309 1/20 0.38
CSNK1A1 P48729 1/20 0.38
LRRK2 Q5S007 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
PIK3CD O00329 2/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CB P42338 2/20 0.38
PIK3CG P48736 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37

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
SCHEMBL2593048 0.88 KDR (0.36) HDAC4HDAC2HDAC8NPC1RAB9A
SCHEMBL7706729 0.88 CLK4 (0.37) CLK4CDK5DYRK1AROCK1PIM1
SCHEMBL2588932 0.85 KDR (0.36) HDAC4HDAC2HDAC8NPC1RAB9A
SCHEMBL2588602 0.84 CLK4 (0.40) HDAC4HDAC2HDAC8NPC1RAB9A
SCHEMBL2595302 0.84 HDAC4 (0.41) HDAC4HDAC2HDAC8NPC1RAB9A
SCHEMBL2583911 0.84 KDR (0.34) HDAC4HDAC2HDAC8CLK4CDK5
SCHEMBL17599569 0.83 HDAC4 (0.38) HDAC4HDAC2HDAC8NPC1RAB9A
SCHEMBL2583621 0.83 HDAC4 (0.37) HDAC4HDAC2HDAC8NPC1RAB9A
SCHEMBL2591838 0.83 HDAC4 (0.37) HDAC4HDAC2HDAC8NPC1RAB9A
SCHEMBL2592436 0.83 KDR (0.36) HDAC4HDAC2HDAC8NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563770-B1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2016-03-23 EP claimed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US claimed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US claimed
EP-2563770-A1 BIARYL PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2013-03-06 EP claimed
WO-2011134468-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2011-11-03 WO claimed
EP-2563770-B1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2016-03-23 EP disclosed
EP-2563770-B1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2016-03-23 EP disclosed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US disclosed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US disclosed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US disclosed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US disclosed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US disclosed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US disclosed
EP-2563770-A1 BIARYL PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2013-03-06 EP disclosed
WO-2011134468-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2011-11-03 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 (1 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-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS PDE3B, PDE3A, PDE4A HDAC4 105/4885HDAC2 77/4885HDAC8 388/4885

“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.