SCHEMBL4328862

SCHEMBL4328862

COc1ccc(Cn2ccc3ccccc32)cc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.47
CFTR P13569 1/20 0.43
PDE4D Q08499 2/20 0.43
PDE4B Q07343 2/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK1 P28482 1/20 0.42
PAX8 Q06710 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL3805746 0.84 MAPK1 (0.45) PDE4DPDE4BKMT2AMEN1ALDH1A1
SCHEMBL6085161 0.82 KMT2A (0.57) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL3805458 0.82 CSF1R (0.52) CFTRKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL4328873 0.81 TUBB4A (0.45) PDE4DPDE4BKMT2AMEN1ALDH1A1
SCHEMBL4322543 0.80 MAPT (0.40) PDE4DPDE4BKMT2AMEN1ALDH1A1
SCHEMBL4323310 0.80 MEN1 (0.43) PDE4DPDE4BKMT2AMEN1ALDH1A1
SCHEMBL6086013 0.80 SERPINE1 (0.54) SERPINE1KMT2AMEN1ALDH1A1LMNA
SCHEMBL3803546 0.79 HTT (0.53) ALDH1A1MAPK1MAPT
SCHEMBL4322257 0.79 MAPT (0.39) PDE4DPDE4BKMT2AMEN1ALDH1A1
SCHEMBL4530308 0.79 AKR1C3 (0.45) SERPINE1KMT2AMEN1ALDH1A1SMN1; SMN2

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 SERPINE1 941/4885CFTR 2246/4885PDE4D 7/4885
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B SERPINE1 941/4885CFTR 2246/4885PDE4D 7/4885
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B SERPINE1 941/4885CFTR 2246/4885PDE4D 7/4885

“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.