SCHEMBL2795339

SCHEMBL2795339

N#CCCCc1cc(C#Cc2ccc(OC(F)F)cc2)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 4/20 0.37
▸ FFAR1 O14842 5/20 0.36
▸ FFAR4 Q5NUL3 5/20 0.36
▸ BACE1 P56817 3/20 0.36
▸ MPO P05164 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ GAA P10253 1/20 0.33
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ TSPO P30536 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ REN P00797 1/20 0.31
▸ CTSD P07339 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31

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
SCHEMBL8176502 0.87 ACACB (0.37) ACACBFFAR1FFAR4BACE1MPO
SCHEMBL8192223 0.81 ACACB (0.41) ACACBFFAR1FFAR4BACE1SMN1; SMN2
SCHEMBL7754880 0.80 BACE1 (0.48) ACACBFFAR1FFAR4BACE1SMN1; SMN2
SCHEMBL2796169 0.79 HTT (0.39) BACE1SMN1; SMN2GAALMNATSHR
SCHEMBL2794353 0.76 BACE1 (0.46) ACACBFFAR1FFAR4BACE1SMN1; SMN2
SCHEMBL2793538 0.75 MPO (0.41) FFAR1FFAR4MPOSLC6A4
SCHEMBL2793728 0.75 MPO (0.37) FFAR1FFAR4MPOSLC6A4
SCHEMBL7851695 0.73 FFAR1 (0.45) ACACBFFAR1FFAR4
SCHEMBL7754601 0.72 ACACB (0.40) ACACBFFAR1FFAR4BACE1SMN1; SMN2
SCHEMBL2794914 0.72 GRM5 (0.44) ACACBBACE1SMN1; SMN2GAALMNA

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-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
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
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 ACACB 738/4885FFAR1 3750/4885FFAR4 3536/4885
US-20100168194-A1 Amino-5-[4-(difluoromethoxy)phenyl]-5-phenylimidazolone Compounds For The Inhibition Of Beta-secretase BACE1, BACE2, APP ACACB 738/4885FFAR1 3750/4885FFAR4 3536/4885

“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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