SCHEMBL2796310

SCHEMBL2796310

O=C(C(=O)c1ccc(F)c(C#CCCF)c1)c1ccc(OC(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 5/20 0.45
▸ CYP3A4 P08684 3/20 0.45
▸ REN P00797 2/20 0.45
▸ CTSD P07339 2/20 0.45
▸ BACE2 Q9Y5Z0 2/20 0.45
▸ ALOX15 P16050 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ ADAM17 P78536 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ ATM Q13315 1/20 0.38
▸ CES2 O00748 1/20 0.36
▸ CES1 P23141 1/20 0.36
▸ HTT P42858 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.34
▸ MDM2 Q00987 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34

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
SCHEMBL2794505 0.91 BACE1 (0.41) BACE1CYP3A4RENCTSDBACE2
SCHEMBL2796508 0.79 CYP3A4 (0.51) BACE1CYP3A4RENCTSDBACE2
SCHEMBL2823925 0.78 ALDH1A1 (0.48) BACE1ALOX15GFERADAM17ALDH1A1
SCHEMBL8187249 0.76 ALOX15 (0.43) ALOX15GFERADAM17ALDH1A1ATM
SCHEMBL2793181 0.76 ALOX15 (0.45) ALOX15GFERADAM17ALDH1A1ATM
SCHEMBL2794479 0.72 ALOX15 (0.47) ALOX15GFERADAM17ALDH1A1ATM
SCHEMBL2791543 0.72 ALOX15 (0.51) ALOX15GFERADAM17ALDH1A1ATM
SCHEMBL2791684 0.72 ALOX15 (0.66) ALOX15GFERADAM17ALDH1A1ATM
SCHEMBL2796169 0.71 HTT (0.39) BACE1ALOX15GFERADAM17ALDH1A1
SCHEMBL2795536 0.71 BACE1 (0.50) BACE1RENCTSDBACE2ALOX15

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
US-20100168194-A1 Amino-5-[4-(difluoromethoxy)phenyl]-5-phenylimidazolone Compounds For The Inhibition Of Beta-secretase WYETH LLC (US) 2010-07-01 — — US disclosed
US-20100168194-A1 Amino-5-[4-(difluoromethoxy)phenyl]-5-phenylimidazolone Compounds For The Inhibition Of Beta-secretase WYETH LLC (US) 2010-07-01 — — US disclosed
US-7723368-B2 Amino-5-[4-(difluoromethoxy)phenyl]-5-phenylimidazolone compounds for the inhibition of beta-secretase WYETH LLC (US) 2010-05-25 — — US disclosed
US-7723368-B2 Amino-5-[4-(difluoromethoxy)phenyl]-5-phenylimidazolone compounds for the inhibition of beta-secretase WYETH LLC (US) 2010-05-25 — — US disclosed
EP-2144884-A2 AMINO-5-[4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS FOR THE INHIBITION OF BETA-SECRETASE Wyeth a Corporation of the State of Delaware (US) 2010-01-20 — — EP disclosed
US-20090048320-A1 AMINO-5-[4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS FOR THE INHIBITION OF BETA-SECRETASE WYETH (US) 2009-02-19 — — US disclosed
US-20090048320-A1 AMINO-5-[4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS FOR THE INHIBITION OF BETA-SECRETASE WYETH (US) 2009-02-19 — — US disclosed
WO-2008118379-A2 AMINO-5-[4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS FOR THE INHIBITION OF β-SECRETASE WYETH (US) 2008-10-02 — — WO disclosed
WO-2008118379-A2 AMINO-5-[4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS FOR THE INHIBITION OF β-SECRETASE WYETH (US) 2008-10-02 — — 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-20090048320-A1 AMINO-5-[4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS FOR THE INHIBITION OF BETA-SECRETASE BACE1, BACE2, APP BACE1 1/4885CYP3A4 4063/4885REN 2536/4885
US-20100168194-A1 Amino-5-[4-(difluoromethoxy)phenyl]-5-phenylimidazolone Compounds For The Inhibition Of Beta-secretase BACE1, BACE2, APP BACE1 1/4885CYP3A4 4063/4885REN 2536/4885

“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.

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