SCHEMBL2793262

SCHEMBL2793262

C=CCCOc1cccc(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
MAOB P27338 7/20 0.51
RAB9A P51151 2/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
NOS1 P29475 1/20 0.44
HMOX2 P30519 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
SCHEMBL30544716 1.00 ALDH1A1 (0.53) ALDH1A1KDM4EMAOBRAB9AHTT
SCHEMBL30594499 0.91 ALDH1A1 (0.56) ALDH1A1KDM4EMAOBRAB9AHTT
SCHEMBL22367610 0.87 ALDH1A1 (0.44) ALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL13883739 0.82 MAOB (0.64) ALDH1A1KDM4EMAOBRAB9AHTT
SCHEMBL2794233 0.82 MAOB (0.51) ALDH1A1KDM4EMAOBRAB9AHTT
SCHEMBL31573499 0.81 MAOB (0.55) ALDH1A1KDM4EMAOBRAB9AHTT
SCHEMBL472525 0.81 MAOB (0.55) ALDH1A1KDM4EMAOBRAB9AHTT
SCHEMBL7162438 0.81 MAOB (0.62) ALDH1A1KDM4EMAOBRAB9AHTT
SCHEMBL5263425 0.79 MAOB (0.61) ALDH1A1KDM4EMAOBRAB9AHTT
SCHEMBL2801030 0.79 MAOB (0.60) ALDH1A1KDM4EMAOBRAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116621723-A Method for oxidizing non-activated end group olefin into secondary alcohol 江苏科技大学 2023-08-22 CN 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
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 ALDH1A1 3041/4885KDM4E 826/4885MAOB 725/4885
US-20100168194-A1 Amino-5-[4-(difluoromethoxy)phenyl]-5-phenylimidazolone Compounds For The Inhibition Of Beta-secretase BACE1, BACE2, APP ALDH1A1 3041/4885KDM4E 826/4885MAOB 725/4885

“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.