SCHEMBL4329005

SCHEMBL4329005

COc1ccc(Cc2ccc([N+](=O)[O-])cc2)c(F)c1-c1cccc(C(C)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.48
MAOA P21397 2/20 0.48
ALDH1A1 P00352 4/20 0.43
ABCB1 P08183 2/20 0.42
ABCC1 P33527 1/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
RAC1 P63000 1/20 0.41
SETD7 Q8WTS6 1/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL13578677 0.91 MAOB (0.38) MAOBMAOAALDH1A1ABCB1ABCC1
SCHEMBL4326698 0.90 MAOB (0.49) MAOBMAOAALDH1A1LMNAHTT
SCHEMBL4322500 0.87 MAOB (0.48) MAOBMAOAALDH1A1ABCB1ABCC1
SCHEMBL15906192 0.87 MAOB (0.44) MAOBALDH1A1HTTMAPTMEN1
SCHEMBL3467069 0.86 ALDH1A1 (0.38) MAOBALDH1A1LMNAMAPTMEN1
SCHEMBL3467033 0.86 MRGPRX4 (0.45) ALDH1A1LMNAHTTMAPTMEN1
Hydrochloric Acid SCHEMBL3796887 0.86 SYK (0.41) MAOBALDH1A1LMNAMAPTMEN1
SCHEMBL3790303 0.85 MAPT (0.41) ALDH1A1LMNAHTTMAPTMEN1
SCHEMBL7916951 0.85 ALDH1A1 (0.42) MAOBALDH1A1LMNAMAPTMEN1
SCHEMBL3466244 0.85 ERN1 (0.43) ALDH1A1LMNAMAPTMEN1KMT2A

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 7 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
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
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.