SCHEMBL3791606

SCHEMBL3791606

COc1ccc(CN2C(=O)CCC2=O)cc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ PDE4B Q07343 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ AKR1C3 P42330 1/20 0.43
▸ AKR1C2 P52895 1/20 0.43

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
SCHEMBL3787880 0.96 ALDH1A1 (0.43) ALDH1A1HPGDHTTMAPK1PDE4B
SCHEMBL3803546 0.87 HTT (0.53) ALDH1A1HPGDHTTMAPK1MAPT
SCHEMBL3792971 0.85 MAPK1 (0.44) ALDH1A1MAPK1PDE4BKDM4EMAPT
SCHEMBL3790892 0.85 MAPK1 (0.44) MAPK1PDE4BKDM4EMAPTATM
SCHEMBL15906134 0.83 KMT2A (0.48) ALDH1A1PDE4BKDM4EMAPTKMT2A
SCHEMBL3807673 0.83 ALDH1A1 (0.71) ALDH1A1HPGDHTTMAPK1KDM4E
SCHEMBL3798699 0.82 MEN1 (0.46) ALDH1A1MAPK1PDE4BKDM4EMAPT
SCHEMBL4323666 0.81 HCRTR2 (0.43) MAPK1PDE4BPDE4DAKR1C3AKR1C2
SCHEMBL3795475 0.81 HCRTR2 (0.43) MAPK1PDE4BPDE4DAKR1C3AKR1C2
SCHEMBL4329665 0.81 HCRTR2 (0.43) MAPK1PDE4BPDE4DAKR1C3AKR1C2

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 10 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
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 ALDH1A1 150/4885HPGD 806/4885HTT 3498/4885
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B ALDH1A1 150/4885HPGD 806/4885HTT 3498/4885
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B ALDH1A1 150/4885HPGD 806/4885HTT 3498/4885

“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.

Send feedback