SCHEMBL4332959

SCHEMBL4332959

COc1ccc(Cn2cc(NC(C)=O)ccc2=O)cc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 4/20 0.47
HPGD P15428 1/20 0.47
MCL1 Q07820 1/20 0.47
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ABCB1 P08183 2/20 0.44
SETD7 Q8WTS6 1/20 0.43
ABCC1 P33527 1/20 0.42
HTT P42858 1/20 0.42
PDE4D Q08499 1/20 0.42
RAC1 P63000 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
SNCA P37840 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
SCHEMBL4315726 0.92 PDE4D (0.52) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL15906163 0.86 MAPT (0.46) ALDH1A1MAPTHPGDLMNAKDM4E
SCHEMBL8055203 0.85 PDE4D (0.44) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL4322258 0.84 ACHE (0.44) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL3805785 0.83 TUBB4A (0.46) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL4336210 0.81 MAPT (0.41) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL3805746 0.80 MAPK1 (0.45) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL15906131 0.78 PDE4D (0.56) KMT2AALDH1A1MAPTHPGDLMNA
SCHEMBL4530308 0.78 AKR1C3 (0.45) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL8055946 0.78 PDE4D (0.55) MEN1KMT2AALDH1A1MAPTHPGD

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 6 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
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 MEN1 3649/4885KMT2A 1434/4885ALDH1A1 150/4885
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B MEN1 3649/4885KMT2A 1434/4885ALDH1A1 150/4885
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B MEN1 3649/4885KMT2A 1434/4885ALDH1A1 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.