SCHEMBL2796315

SCHEMBL2796315

N#CCCCCc1cccc(C(=O)C(=O)c2ccc(OC(F)F)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 2/20 0.49
▸ BACE1 P56817 3/20 0.48
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ CYP4F2 P78329 1/20 0.39
▸ CYP4A11 Q02928 1/20 0.39
▸ LMNA P02545 5/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ ADAM17 P78536 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ DAO P14920 1/20 0.37
▸ MAPT P10636 2/20 0.37

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
SCHEMBL7755452 0.96 BACE1 (0.51) MRGPRX4BACE1PDE4APDE4BPDE4C
SCHEMBL8189093 0.86 MRGPRX4 (0.51) MRGPRX4BACE1CYP4F2CYP4A11
SCHEMBL8367036 0.84 MRGPRX4 (0.52) MRGPRX4BACE1PDE4APDE4BPDE4C
SCHEMBL3455358 0.84 MRGPRX4 (0.52) MRGPRX4BACE1PDE4APDE4BPDE4C
SCHEMBL2793826 0.82 BACE1 (0.51) MRGPRX4BACE1PDE4APDE4BPDE4C
SCHEMBL3456506 0.82 MRGPRX4 (0.54) MRGPRX4BACE1LMNAHTTTSHR
SCHEMBL7756621 0.81 MRGPRX4 (0.49) MRGPRX4BACE1PDE4APDE4BPDE4C
SCHEMBL2796169 0.78 HTT (0.39) MRGPRX4BACE1CYP4F2CYP4A11LMNA
SCHEMBL2794353 0.77 BACE1 (0.46) MRGPRX4BACE1PDE4APDE4BPDE4C
SCHEMBL8367054 0.75 BACE1 (0.50) MRGPRX4BACE1PDE4APDE4BPDE4C

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2256107-A1 Amino-5-[4-(difluoromethoxy)phenyl]-5-phenylimidazolone compounds as inhibitors of the beta-secretase (BACE) Wyeth LLC (US) 2010-12-01 — — EP 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-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
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
CN-101663281-A Amino-5- [ 4- (difluoromethoxy) phenyl ] -5-phenylimidazolidinone compounds which inhibit the beta-secretase enzyme WYETH CORP 2010-03-03 — — CN 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
CN-101273018-A Amino-5- [4- (difluoromethoxy) phenyl] -5-phenylimidazolone compounds as inhibitors of the beta-secretase (BACE) WYETH CORP (US) 2008-09-24 — — CN disclosed
US-7423158-B2 Amino-5-[4-(difluoromethoxy)phenyl]-5-phenylimidazolone compounds for the inhibition of β-secretase WYETH (US) 2008-09-09 — — US disclosed
US-7423158-B2 Amino-5-[4-(difluoromethoxy)phenyl]-5-phenylimidazolone compounds for the inhibition of β-secretase WYETH (US) 2008-09-09 — — US disclosed
US-7423158-B2 Amino-5-[4-(difluoromethoxy)phenyl]-5-phenylimidazolone compounds for the inhibition of β-secretase WYETH (US) 2008-09-09 — — US disclosed
EP-1928841-A1 AMINO-5- Ý4- (DIFLUOROMETHOXY) PHENYL¨-5-PHENYLIMIDAZOLONE COMPOUNDS AS INHIBITORS OF THE BETA-SECRETASE (BACE) Wyeth a Corporation of the State of Delaware (US) 2008-06-11 — — EP disclosed
WO-2007038271-A9 AMINO-5- [4- (DIFLUOROMETHOXY) PHENYL] -5-PHENYLIMIDAZOLONE COMPOUNDS AS INHIBITORS OF THE BETA-SECRETASE (BACE) WYETH CORP (US) 2008-05-08 — — WO disclosed
WO-2007038271-A1 AMINO-5- [4- (DIFLUOROMETHOXY) PHENYL] -5-PHENYLIMIDAZOLONE COMPOUNDS AS INHIBITORS OF THE BETA-SECRETASE (BACE) WYETH (US) 2007-04-05 — — WO disclosed
US-20070072925-A1 Amino-5-[4-(difluoromehtoxy)phenyl]-5-phenylimidazolone compounds for the inhibition of beta-secretase WYETH (US) 2007-03-29 — — US disclosed
US-20070072925-A1 Amino-5-[4-(difluoromehtoxy)phenyl]-5-phenylimidazolone compounds for the inhibition of beta-secretase WYETH (US) 2007-03-29 — — US disclosed
US-20070072925-A1 Amino-5-[4-(difluoromehtoxy)phenyl]-5-phenylimidazolone compounds for the inhibition of beta-secretase WYETH (US) 2007-03-29 — — 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-20090048320-A1 AMINO-5-[4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS FOR THE INHIBITION OF BETA-SECRETASE BACE1, BACE2, APP MRGPRX4 3790/4885BACE1 1/4885PDE4A 1017/4885
US-20100168194-A1 Amino-5-[4-(difluoromethoxy)phenyl]-5-phenylimidazolone Compounds For The Inhibition Of Beta-secretase BACE1, BACE2, APP MRGPRX4 3790/4885BACE1 1/4885PDE4A 1017/4885
US-20070072925-A1 Amino-5-[4-(difluoromehtoxy)phenyl]-5-phenylimidazolone compounds for the inhibition of beta-secretase BACE1, BACE2, APP MRGPRX4 3450/4885BACE1 1/4885PDE4A 852/4885

“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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