SCHEMBL3792478

SCHEMBL3792478

COc1ccc(CO)nc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 5/20 0.71
▸ PDE4D Q08499 3/20 0.71
▸ KMO O15229 3/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ AKR1C3 P42330 1/20 0.45
▸ AKR1C2 P52895 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ ABCG2 Q9UNQ0 1/20 0.44

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
SCHEMBL22583782 0.91 PDE4B (0.68) PDE4BPDE4DKMOL3MBTL1MEN1
SCHEMBL3466420 0.88 PDE4B (0.71) PDE4BPDE4DKMOL3MBTL1MEN1
SCHEMBL3795591 0.88 PDE4B (0.71) PDE4BPDE4DKMOL3MBTL1MEN1
SCHEMBL10665764 0.84 PDE4D (0.54) PDE4BPDE4DKMOL3MBTL1MEN1
SCHEMBL3793559 0.84 PDE4B (0.69) PDE4BPDE4DKMOL3MBTL1MEN1
SCHEMBL4319111 0.83 PDE4B (1.00) PDE4BPDE4DPOLB
SCHEMBL3466191 0.82 PDE4D (0.63) PDE4BPDE4DKMOL3MBTL1MEN1
SCHEMBL3466589 0.82 PDE4B (0.79) PDE4BPDE4DMEN1KMT2AALDH1A1
SCHEMBL3788509 0.80 PDE4B (0.61) PDE4BPDE4DKMOL3MBTL1MEN1
SCHEMBL3794467 0.80 PDE4B (0.60) PDE4BPDE4DKMOMEN1KMT2A

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 11 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-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-8791267-B2 Biaryl PDE4 inhibitors for treating inflammatory, cardiovascular and CNS disorders DECODE GENETICS EHF (IS) 2014-07-29 — — US disclosed
EP-2674417-A2 Biaryl PDE4 inhibitors for treating inflammation Decode Genetics EHF (IS) 2013-12-18 — — EP disclosed
US-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2012-07-19 — — US disclosed
US-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2012-07-19 — — US disclosed
EP-2222638-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION Decode Genetics EHF (IS) 2010-09-01 — — EP 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 PDE4B 2/4885PDE4D 7/4885KMO 667/4885
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B PDE4B 2/4885PDE4D 7/4885KMO 667/4885
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B PDE4B 2/4885PDE4D 7/4885KMO 667/4885

“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.

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