SCHEMBL8055902

SCHEMBL8055902

COc1ccc(CC(=O)NN)cc1-c1cccc(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.64
FBP1 P09467 1/20 0.53
PDE4B Q07343 2/20 0.52
PLA2G2A P14555 2/20 0.48
RORC P51449 3/20 0.44
RORB Q92753 2/20 0.44
CTSD P07339 1/20 0.44
PTGES2 Q9H7Z7 1/20 0.43
MME P08473 1/20 0.42
MMEL1 Q495T6 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
DGAT2 Q96PD7 1/20 0.42
SHMT1 P34896 2/20 0.41
SHMT2 P34897 1/20 0.41

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
SCHEMBL8065449 0.85 PDE4D (0.63) PDE4DFBP1PDE4B
SCHEMBL3466382 0.80 PDE4D (0.62) PDE4DFBP1PDE4BRORCRORB
SCHEMBL29406552 0.79 PDE4D (0.61) PDE4DPDE4BRORCRORBSMN1; SMN2
SCHEMBL13578468 0.79 PDE4D (0.61) PDE4DPDE4BRORCRORBSMN1; SMN2
SCHEMBL3466522 0.78 PDE4D (1.00) PDE4DFBP1PDE4BRORCRORB
SCHEMBL28709947 0.78 PDE4B (0.62) PDE4DPDE4BPTGES2SMN1; SMN2
SCHEMBL3791153 0.78 PDE4D (0.76) PDE4DFBP1PDE4BPLA2G2ARORC
SCHEMBL3791269 0.77 PDE4D (0.86) PDE4DFBP1PDE4BRORCRORB
SCHEMBL3791288 0.77 PDE4D (0.71) PDE4DFBP1PDE4BPLA2G2ARORC
SCHEMBL3466479 0.77 PDE4B (0.60) PDE4DPDE4BPTGES2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2014-10-09 US disclosed
US-8791267-B2 Biaryl PDE4 inhibitors for treating inflammatory, cardiovascular and CNS disorders DECODE GENETICS EHF (IS) 2014-07-29 US disclosed
US-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2012-07-19 US disclosed
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-12-31 US disclosed
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-12-31 US disclosed
WO-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-05-28 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-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B PDE4D 7/4885FBP1 3189/4885PDE4B 2/4885
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B PDE4D 7/4885FBP1 3189/4885PDE4B 2/4885
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B PDE4D 7/4885FBP1 3189/4885PDE4B 2/4885

“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.