SCHEMBL4331079

SCHEMBL4331079

COc1ccc(Oc2ccc(F)cc2)c(F)c1-c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.44
HTR2A P28223 6/20 0.44
KCNH2 Q12809 4/20 0.44
GAPDH P04406 1/20 0.41
PDE4B Q07343 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
HTR2C P28335 3/20 0.39
HTR2B P41595 3/20 0.39
DHPS P49366 1/20 0.39
LMNA P02545 1/20 0.37
SCN9A Q15858 2/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL8072112 0.90 SMN1; SMN2 (0.41) SLC6A4HTR2AKCNH2PDE4BL3MBTL1
Hydrochloric Acid SCHEMBL3792067 0.89 SMN1; SMN2 (0.40) SLC6A4HTR2AKCNH2PDE4BL3MBTL1
SCHEMBL3789985 0.85 HSPB1 (0.46) ALDH1A1SMN1; SMN2NPC1MAPTLMNA
SCHEMBL4336227 0.83 PGR (0.45) SLC6A4ALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL8066089 0.80 PDE4B (0.46) SLC6A4HTR2AKCNH2GAPDHPDE4B
SCHEMBL4316642 0.78 ESR2 (0.46) PDE4BALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL3790825 0.77 CTSA (0.44) SMN1; SMN2NPC1MAPTTSHRDHPS
SCHEMBL8028035 0.76 TAAR1 (0.43) PDE4BSMN1; SMN2NPC1MAPTTSHR
SCHEMBL3466371 0.75 PDE4B (0.42) PDE4BSMN1; SMN2NPC1MAPTTSHR
SCHEMBL8032267 0.75 TSHR (0.40) PDE4BSMN1; SMN2NPC1MAPTTSHR

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 SLC6A4 1353/4885HTR2A 961/4885KCNH2 2903/4885
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B SLC6A4 1353/4885HTR2A 961/4885KCNH2 2903/4885
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B SLC6A4 1353/4885HTR2A 961/4885KCNH2 2903/4885

“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.