SCHEMBL4325614

SCHEMBL4325614

COc1ccc(CNc2ccc(NC(N)=O)cc2)cc1-c1cccc(Cl)c1

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.82
PDE4B Q07343 4/20 0.62
FFAR1 O14842 2/20 0.52
HDAC1 Q13547 3/20 0.47
FBP1 P09467 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.44
HIF1A Q16665 1/20 0.43
RAB9A P51151 1/20 0.43
HDAC2 Q92769 2/20 0.43
SLC9A1 P19634 1/20 0.42
CNR1 P21554 1/20 0.42

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
SCHEMBL3466522 0.90 PDE4D (1.00) PDE4DPDE4BFBP1ALDH1A1GAA
SCHEMBL10440010 0.88 PDE4D (0.84) PDE4DPDE4BFBP1ALDH1A1GAA
SCHEMBL28563675 0.87 PDE4B (0.72) PDE4DPDE4BFFAR1CA1CA2
SCHEMBL28560582 0.86 PDE4B (0.63) PDE4DPDE4BFFAR1HDAC1FBP1
SCHEMBL3791269 0.85 PDE4D (0.86) PDE4DPDE4BFBP1ALDH1A1GAA
SCHEMBL28554719 0.85 PDE4B (0.69) PDE4DPDE4BFFAR1ALDH1A1GAA
SCHEMBL8072297 0.84 PDE4D (0.76) PDE4DPDE4BFBP1ALDH1A1GAA
SCHEMBL28571515 0.84 PDE4B (0.68) PDE4DPDE4BFFAR1ALDH1A1GAA
SCHEMBL10440583 0.83 PDE4D (0.86) PDE4DPDE4BFBP1ALDH1A1MAPT
SCHEMBL28563673 0.83 PDE4B (0.77) PDE4DPDE4BFFAR1FBP1ALDH1A1

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 4 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

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 7/4885PDE4B 2/4885FFAR1 1170/4885
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B PDE4D 7/4885PDE4B 2/4885FFAR1 1170/4885
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B PDE4D 7/4885PDE4B 2/4885FFAR1 1170/4885

“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.