SCHEMBL3805809

SCHEMBL3805809

COc1ccc(Cn2cnnc2)cc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ PKM P14618 1/20 0.48
▸ PDE4B Q07343 4/20 0.47
▸ PDE4D Q08499 2/20 0.47
▸ MAPT P10636 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ AKR1C3 P42330 1/20 0.44
▸ AKR1C2 P52895 1/20 0.44
▸ POLB P06746 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
SCHEMBL3809328 0.84 ALDH1A1 (0.52) ALDH1A1PKMPDE4BPDE4DMAPT
SCHEMBL10440128 0.83 ALDH1A1 (0.51) ALDH1A1PKMPDE4BPDE4DMAPT
SCHEMBL3805581 0.83 PDE4D (0.46) ALDH1A1PDE4BPDE4DMAPTMEN1
SCHEMBL3800659 0.82 ALDH1A1 (0.50) ALDH1A1PKMPDE4BPDE4DMAPT
Hydrochloric Acid SCHEMBL3812572 0.82 PDE4D (0.46) ALDH1A1PDE4BPDE4DMAPTMEN1
SCHEMBL4319471 0.82 PDE4B (0.47) ALDH1A1PDE4BPDE4DMAPTMEN1
SCHEMBL3803546 0.81 HTT (0.53) ALDH1A1MAPTMAPK1POLB
SCHEMBL3791606 0.81 ALDH1A1 (0.45) ALDH1A1PDE4BPDE4DMAPTKMT2A
SCHEMBL3466403 0.81 PDE4D (0.49) ALDH1A1PDE4BPDE4DMAPTMEN1
SCHEMBL4321641 0.81 PDE4D (0.49) ALDH1A1PDE4BPDE4DMAPTMEN1

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 ALDH1A1 150/4885PKM 1344/4885PDE4B 2/4885
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B ALDH1A1 150/4885PKM 1344/4885PDE4B 2/4885
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B ALDH1A1 150/4885PKM 1344/4885PDE4B 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.

Send feedback