SCHEMBL10440010

SCHEMBL10440010

[2H]C([2H])(c1ccc(NC(N)=O)cc1)c1ccc(OC)c(-c2cccc(Cl)c2)c1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.84
PDE4B Q07343 2/20 0.50
FBP1 P09467 1/20 0.46
POLB P06746 1/20 0.45
SLC9A1 P19634 1/20 0.43
CNR1 P21554 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 2/20 0.42
PTGES2 Q9H7Z7 1/20 0.42
LMNA P02545 1/20 0.41
CTSA P10619 4/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CSF1R P07333 1/20 0.41
KIT P10721 1/20 0.41
FLT1 P17948 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
SCHEMBL3466522 0.91 PDE4D (1.00) PDE4DPDE4BFBP1POLBSLC9A1
SCHEMBL4325614 0.88 PDE4D (0.82) PDE4DPDE4BFBP1POLBSLC9A1
SCHEMBL10440583 0.86 PDE4D (0.86) PDE4DPDE4BFBP1POLBSLC9A1
SCHEMBL3791269 0.86 PDE4D (0.86) PDE4DPDE4BFBP1POLBALDH1A1
SCHEMBL8072297 0.84 PDE4D (0.76) PDE4DPDE4BFBP1POLBALDH1A1
SCHEMBL3790114 0.83 PDE4D (0.57) PDE4DPDE4BPTGES2CTSARORC
SCHEMBL4320297 0.83 PDE4D (0.84) PDE4DPDE4BFBP1POLBALDH1A1
SCHEMBL10440594 0.82 PDE4D (0.61) PDE4DFBP1POLBCNR1ALDH1A1
SCHEMBL4323820 0.82 PDE4D (0.72) PDE4DPDE4BFBP1POLBSLC9A1
SCHEMBL3792489 0.81 PDE4D (0.80) PDE4DPDE4BFBP1POLBSLC9A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B PDE4D 7/4885PDE4B 2/4885FBP1 3189/4885
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B PDE4D 7/4885PDE4B 2/4885FBP1 3189/4885

“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.