SCHEMBL3809970

SCHEMBL3809970

COC(=O)c1cncn1Cc1ccc(OC)c(-c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 2/20 0.50
▸ FNTB P49356 2/20 0.50
▸ PGGT1B P53609 2/20 0.50
▸ CYP11B1 P15538 1/20 0.47
▸ CYP11B2 P19099 1/20 0.47
▸ GRM2 Q14416 1/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ SLC6A4 P31645 1/20 0.42
▸ PDE4D Q08499 3/20 0.42
▸ PDE4B Q07343 3/20 0.42
▸ AKR1C3 P42330 1/20 0.42
▸ AKR1C2 P52895 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ CYP3A4 P08684 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
SCHEMBL3795724 0.86 FNTA (0.50) FNTAFNTBPGGT1BMEN1KMT2A
SCHEMBL8066564 0.84 CYP11B1 (0.49) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL4330712 0.81 MEN1 (0.44) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL3800659 0.80 ALDH1A1 (0.50) GRM2MEN1KMT2AALDH1A1MAPT
SCHEMBL3805809 0.78 ALDH1A1 (0.48) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL3805581 0.77 PDE4D (0.46) MEN1KMT2AALDH1A1MAPTPDE4D
SCHEMBL3805458 0.77 CSF1R (0.52) CYP11B1CYP11B2KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL3812572 0.76 PDE4D (0.46) MEN1KMT2AALDH1A1MAPTPDE4D
SCHEMBL3805746 0.76 MAPK1 (0.45) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL10440128 0.75 ALDH1A1 (0.51) MEN1KMT2AALDH1A1MAPTMAPK1

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 12 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-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 FNTA 273/4885FNTB 1789/4885PGGT1B 288/4885
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B FNTA 273/4885FNTB 1789/4885PGGT1B 288/4885
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B FNTA 273/4885FNTB 1789/4885PGGT1B 288/4885

“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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