SCHEMBL7755452

SCHEMBL7755452

N#CCCCc1cccc(C(=O)C(=O)c2ccc(OC(F)F)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.51
▸ MRGPRX4 Q96LA9 2/20 0.50
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ 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
▸ ALOX15 P16050 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ ADAM17 P78536 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ DAO P14920 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAPT P10636 2/20 0.38

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
SCHEMBL2796315 0.96 MRGPRX4 (0.49) BACE1MRGPRX4PDE4APDE4BPDE4C
SCHEMBL8367036 0.85 MRGPRX4 (0.52) BACE1MRGPRX4PDE4APDE4BPDE4C
SCHEMBL3455358 0.85 MRGPRX4 (0.52) BACE1MRGPRX4PDE4APDE4BPDE4C
SCHEMBL8189093 0.84 MRGPRX4 (0.51) BACE1MRGPRX4
SCHEMBL2793826 0.83 BACE1 (0.51) BACE1MRGPRX4PDE4APDE4BPDE4C
SCHEMBL3456506 0.83 MRGPRX4 (0.54) BACE1MRGPRX4LMNAHTTTSHR
SCHEMBL7756621 0.82 MRGPRX4 (0.49) BACE1MRGPRX4PDE4APDE4BPDE4C
SCHEMBL2796169 0.81 HTT (0.39) BACE1MRGPRX4LMNASMN1; SMN2HTT
SCHEMBL8367054 0.79 BACE1 (0.50) BACE1MRGPRX4PDE4APDE4BPDE4C
SCHEMBL7754880 0.77 BACE1 (0.48) BACE1MRGPRX4PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012139-A1 AMINO-5-[4-(DIFLUOROMETHOXY) PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS FOR THE INHIBITION OF BETA-SECRETASE WYETH (US) 2009-01-08 — — 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-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 (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-20090012139-A1 AMINO-5-[4-(DIFLUOROMETHOXY) PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS FOR THE INHIBITION OF BETA-SECRETASE BACE1, BACE2, APP BACE1 1/4885MRGPRX4 3437/4885PDE4A 858/4885
US-20070072925-A1 Amino-5-[4-(difluoromehtoxy)phenyl]-5-phenylimidazolone compounds for the inhibition of beta-secretase BACE1, BACE2, APP BACE1 1/4885MRGPRX4 3450/4885PDE4A 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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