SCHEMBL3456763

SCHEMBL3456763

COCC(=O)Nc1cccc(C#Cc2ccc(OC(F)F)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.50
ALDH1A1 P00352 4/20 0.49
ACACB O00763 2/20 0.49
MAPK1 P28482 2/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
KCNJ5 P48544 1/20 0.45
KCNJ3 P48549 1/20 0.45
TP53 P04637 1/20 0.45
NPC1 O15118 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL8365621 0.82 CYP2C19 (0.59) NLRP3SMN1; SMN2ALDH1A1MAPK1HPGD
SCHEMBL3458300 0.81 ALDH1A1 (0.55) NLRP3SMN1; SMN2ALDH1A1MAPK1HPGD
SCHEMBL4705977 0.80 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1MAPK1HPGDMEN1
SCHEMBL2795102 0.80 ACACB (0.47) NLRP3SMN1; SMN2ALDH1A1ACACBKDM4E
SCHEMBL10191907 0.79 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1MAPK1HPGDKDM4E
SCHEMBL7752820 0.78 ACACB (0.47) NLRP3SMN1; SMN2ACACBKDM4EMEN1
SCHEMBL3457239 0.75 ACACB (0.47) NLRP3SMN1; SMN2ALDH1A1ACACBHPGD
SCHEMBL4308490 0.75 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1MAPK1HPGDMEN1
SCHEMBL9495103 0.74 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1MAPK1HPGDKDM4E
SCHEMBL2791056 0.74 ACACB (0.46) NLRP3SMN1; SMN2ALDH1A1ACACBHPGD

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 7 patents. 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-20090012139-A1 AMINO-5-[4-(DIFLUOROMETHOXY) PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS FOR THE INHIBITION OF BETA-SECRETASE WYETH (US) 2009-01-08 US disclosed
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-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
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 NLRP3 3401/4885SMN1; SMN2 1523/4885ALDH1A1 1913/4885
US-20070072925-A1 Amino-5-[4-(difluoromehtoxy)phenyl]-5-phenylimidazolone compounds for the inhibition of beta-secretase BACE1, BACE2, APP NLRP3 3155/4885SMN1; SMN2 1525/4885ALDH1A1 1940/4885

“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.