SCHEMBL1434366

SCHEMBL1434366

CCCNC(=O)COc1c(C(=O)Cc2cccnn2)ccc(OC)c1OC

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 14/20 0.64
PDE4A P27815 1/20 0.64
PDE4B Q07343 1/20 0.64
PDE4C Q08493 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PKM P14618 1/20 0.39
CTDSP1 Q9GZU7 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
SCHEMBL885321 0.83 PDE4D (0.70) PDE4DPDE4APDE4BPDE4CSMN1; SMN2
SCHEMBL885194 0.82 PDE4D (0.71) PDE4DPDE4APDE4BPDE4CSMN1; SMN2
SCHEMBL884924 0.82 PDE4D (0.68) PDE4DPDE4APDE4BPDE4CSMN1; SMN2
SCHEMBL885249 0.82 PDE4D (0.68) PDE4DPDE4APDE4BPDE4CPOLB
SCHEMBL10194807 0.81 PDE4D (0.69) PDE4DPDE4APDE4BPDE4CSMN1; SMN2
SCHEMBL885236 0.80 PDE4D (0.68) PDE4DPDE4APDE4BPDE4CSMN1; SMN2
SCHEMBL885223 0.80 PDE4D (0.65) PDE4DPDE4APDE4BPDE4CSMN1; SMN2
SCHEMBL885215 0.79 PDE4D (0.61) PDE4DPDE4APDE4BPDE4CHSD17B10
SCHEMBL885207 0.79 PDE4D (0.75) PDE4DPDE4APDE4BPDE4C
SCHEMBL885122 0.79 PDE4D (0.82) PDE4DPDE4APDE4BPDE4CKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148537-B2 Substituted acetophenones useful as PDE4 inhibitors LEO PHARMA A/S (DK) 2012-04-03 US claimed
EP-2125736-B1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA AS (DK) 2011-03-30 EP claimed
US-20100035908-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA (DK) 2010-02-11 US claimed
US-8497380-B2 Substituted acetophenones useful as PDE4 inhibitors LEO PHARMA A/S (DK) 2013-07-30 US disclosed
US-20130012716-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS FELDING JAKOB (DK) 2013-01-10 US disclosed
US-8324394-B2 Substituted acetophenones useful as PDE4 inhibitors LEO PHARMA A/S (DK) 2012-12-04 US disclosed
US-20120165539-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS FELDING JAKOB (DK) 2012-06-28 US disclosed
US-8148537-B2 Substituted acetophenones useful as PDE4 inhibitors LEO PHARMA A/S (DK) 2012-04-03 US disclosed
EP-2125736-B1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA AS (DK) 2011-03-30 EP disclosed
US-20100035908-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA (DK) 2010-02-11 US disclosed
EP-2125736-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS Leo Pharma A/S (DK) 2009-12-02 EP disclosed
WO-2008077404-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA A/S (DK) 2008-07-03 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 (3 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-20120165539-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS PDE4A, PDE4B, PDE3B PDE4D 9/4885PDE4A 1/4885PDE4B 2/4885
US-20100035908-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS PDE4A, PDE4B, PDE3B PDE4D 8/4885PDE4A 1/4885PDE4B 2/4885
US-20130012716-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS PDE4A, PDE3B, PDE5A PDE4D 10/4885PDE4A 1/4885PDE4B 4/4885

“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.