SCHEMBL3358042

SCHEMBL3358042

FC(F)Oc1ccc(Br)cc1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.44
PTGDR Q13258 2/20 0.44
PDE4D Q08499 4/20 0.35
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC6A4 P31645 3/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AAK1 Q2M2I8 1/20 0.32

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
SCHEMBL19527578 0.81 SLC6A2 (0.46) PTGDR2PTGDRPDE4DPDE4APDE4B
SCHEMBL27779806 0.80 TAAR1 (0.39) PTGDR2PTGDRPDE4DPDE4APDE4B
SCHEMBL4311110 0.80 PDE4D (0.33) PTGDR2PTGDRPDE4DADRA1A
SCHEMBL16961976 0.79 PTGDR2 (0.44) PTGDR2PTGDRPDE4DPDE4APDE4B
SCHEMBL16961974 0.79 PDE4D (0.35) PTGDR2PTGDRPDE4DPDE4APDE4B
SCHEMBL15716496 0.79 HTR2B (0.34) PTGDR2PTGDRPDE4DPDE4APDE4B
SCHEMBL4306393 0.78 PDE4A (0.39) PTGDR2PTGDRPDE4DPDE4APDE4B
SCHEMBL4311894 0.78 PTGDR2 (0.36) PTGDR2PTGDRPDE4DPDE4APDE4B
SCHEMBL22804977 0.77 PTGDR2 (0.47) PTGDR2PTGDRPDE4DPDE4APDE4B
SCHEMBL22804975 0.77 PTGDR2 (0.47) PTGDR2PTGDRPDE4DPDE4APDE4B

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010056194-A1 5H-PYRROLO [ 3, 4-B] PYRIDIN DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2010-05-20 WO disclosed
WO-2010056194-A1 5H-PYRROLO [ 3, 4-B] PYRIDIN DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2010-05-20 WO disclosed
US-20100125081-A1 NEW COMPOUNDS 574 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
US-20100125081-A1 NEW COMPOUNDS 574 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
US-20100125081-A1 NEW COMPOUNDS 574 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
CN-101641335-A Amino-5-[substituted-4-(difluoromethoxy)phenyl]-5- phenylimidazolone compounds as ss-secretase inhibitors WYETH CORP US 2010-02-03 CN disclosed
EP-2137161-A1 AMINO-5-[SUBSTITUTED-4-(DIFLUOROMETHOXY)PHENYL]-5- PHENYLIMIDAZOLONE COMPOUNDS AS ß-SECRETASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-12-30 EP disclosed
US-20090042964-A1 AMINO-5-[SUBSTITUTED-4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS AS BETA-SECRETASE INHIBITORS WYETH (US) 2009-02-12 US disclosed
WO-2008115552-A1 AMINO-5-[SUBSTITUTED-4-(DIFLUOROMETHOXY)PHENYL]-5- PHENYLIMIDAZOLONE COMPOUNDS AS ß-SECRETASE INHIBITORS WYETH (US) 2008-09-25 WO 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 (2 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-20100125081-A1 NEW COMPOUNDS 574 PSEN1, PSEN2, BACE1 PTGDR2 1645/4885PTGDR 1325/4885PDE4D 224/4885
US-20090042964-A1 AMINO-5-[SUBSTITUTED-4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS AS BETA-SECRETASE INHIBITORS BACE1, BACE2, APP PTGDR2 4586/4885PTGDR 4593/4885PDE4D 955/4885

“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.