SCHEMBL8176502

SCHEMBL8176502

N#CCCCc1cc(C#Cc2ccc(OC(F)F)cc2)ccc1C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 8/20 0.37
▸ BACE1 P56817 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ FFAR1 O14842 3/20 0.34
▸ FFAR4 Q5NUL3 3/20 0.34
▸ MPO P05164 1/20 0.33
▸ SLC6A4 P31645 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
▸ PPARG P37231 1/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ TDP2 O95551 1/20 0.30
▸ MTNR1A P48039 1/20 0.30
▸ MTNR1B P49286 1/20 0.30
▸ ATM Q13315 1/20 0.30

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
SCHEMBL2795339 0.87 ACACB (0.37) ACACBBACE1SMN1; SMN2LMNATSHR
SCHEMBL13264073 0.81 CA12 (0.38) ACACBFFAR1FFAR4MPOSLC6A4
SCHEMBL7754880 0.80 BACE1 (0.48) ACACBBACE1SMN1; SMN2FFAR1FFAR4
SCHEMBL2794353 0.76 BACE1 (0.46) ACACBBACE1SMN1; SMN2FFAR1FFAR4
SCHEMBL2796008 0.76 ALDH1A1 (0.46) ACACBSMN1; SMN2LMNA
SCHEMBL2797770 0.72 ACACB (0.51) ACACBLMNAHTTSLC6A4PPARG
SCHEMBL13234013 0.70 ACACB (0.36) ACACB
SCHEMBL8192223 0.70 ACACB (0.41) ACACBBACE1SMN1; SMN2LMNAHTT
SCHEMBL18621626 0.69 LMNA (0.37) ACACBSMN1; SMN2LMNATSHRHTT
SCHEMBL932887 0.68 ALDH1A1 (0.46) ACACBSMN1; SMN2LMNATSHRHTT

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-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-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 (1 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 738/4885BACE1 1/4885SMN1; SMN2 1441/4885

“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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