SCHEMBL4323866

SCHEMBL4323866

COc1ccc(Oc2ccc([N+](=O)[O-])cc2)c(F)c1-c1cccc(C(C)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.46
MAOA P21397 2/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
HSPB1 P04792 2/20 0.44
ABCB1 P08183 2/20 0.43
ABCC1 P33527 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SETD7 Q8WTS6 1/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
FFAR1 O14842 1/20 0.40

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
SCHEMBL15906139 0.86 MEN1 (0.43) MAOBALDH1A1MEN1KMT2ALMNA
SCHEMBL15906138 0.85 CYP1A2 (0.40) ALDH1A1MEN1KMT2ALMNAMAPT
Hydrochloric Acid SCHEMBL3788956 0.84 CYP1A2 (0.39) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL3789985 0.84 HSPB1 (0.46) ALDH1A1HSPB1MEN1KMT2ALMNA
SCHEMBL4329005 0.83 MAOB (0.48) MAOBMAOAALDH1A1ABCB1ABCC1
SCHEMBL3790829 0.76 RELA (0.45) ALDH1A1ABCB1ABCC1MEN1KMT2A
SCHEMBL13578677 0.73 MAOB (0.38) MAOBMAOAALDH1A1KDM4EABCB1
SCHEMBL4326698 0.73 MAOB (0.49) MAOBMAOAALDH1A1MEN1KMT2A
SCHEMBL4323992 0.73 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL3788432 0.72 SETD7 (0.51) MAOBMAOAALDH1A1ABCB1ABCC1

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 5 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-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-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 (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 MAOB 116/4885MAOA 114/4885ALDH1A1 150/4885
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B MAOB 116/4885MAOA 114/4885ALDH1A1 150/4885
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B MAOB 116/4885MAOA 114/4885ALDH1A1 150/4885

“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.