SCHEMBL8278809

SCHEMBL8278809

S=C1NC(c2cccc(Br)c2)(c2ccc3c(c2)OCO3)C(=S)S1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.38
MAOA P21397 2/20 0.38
SNCA P37840 1/20 0.37
ATM Q13315 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
CFTR P13569 2/20 0.34
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
PKM P14618 1/20 0.33
CISD1 Q9NZ45 1/20 0.33
SLC6A3 Q01959 3/20 0.33
EGFR P00533 1/20 0.32
SLC6A4 P31645 2/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
ALOX12 P18054 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTT P42858 1/20 0.31
CCR6 P51684 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
SCHEMBL8275987 0.93 MAPT (0.38) MAOBMAOANPC1MAPTRAB9A
SCHEMBL13933071 0.83 PIK3CA (0.31) NPC1RAB9ACISD1
SCHEMBL4248380 0.81 CISD1 (0.37) MAOBMAOAMAPTCISD1SLC6A3
SCHEMBL4252191 0.77 CISD1 (0.33) CISD1
SCHEMBL3931293 0.76 CISD1 (0.34) NPC1RAB9ACISD1ALDH1A1ALOX12
SCHEMBL4010167 0.76 RXFP1 (0.37) MAOBMAOAATMCISD1SLC6A3
SCHEMBL4252684 0.75 LDHA (0.37) MAPTCISD1ALDH1A1
SCHEMBL4248014 0.74 MAOB (0.38) MAOBCISD1SLC6A3ALDH1A1LMNA
SCHEMBL4248198 0.74 CISD1 (0.33) CISD1
SCHEMBL2798454 0.73 CTSD (0.40) CISD1SLC6A3SLC6A4

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
EP-1758907-B1 DIPHENYLIMIDAZOPYRIMIDINE AND -IMIDAZOLE AMINES AS INHIBITORS OF B-SECRETASE WYETH CORP (US) 2009-02-18 EP disclosed
US-20090042912-A1 DIPHENYLIMIDAZOLYL COMPOUNDS AS INHIBITORS OF beta-SECRETASE WYETH (US) 2009-02-12 US disclosed
US-20090042912-A1 DIPHENYLIMIDAZOLYL COMPOUNDS AS INHIBITORS OF beta-SECRETASE WYETH (US) 2009-02-12 US disclosed
US-7456186-B2 Diphenylimidazopyrimidines as inhibitors of β-secretase WYETH (US) 2008-11-25 US disclosed
US-7456186-B2 Diphenylimidazopyrimidines as inhibitors of β-secretase WYETH (US) 2008-11-25 US disclosed
WO-2006009655-A1 DIPHENYLIMIDAZOPYRIMIDINE AND -IMIDAZOLE AMINES AS INHIBITORS OF B-SECRETASE WYETH (US) 2006-01-26 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-20090042912-A1 DIPHENYLIMIDAZOLYL COMPOUNDS AS INHIBITORS OF beta-SECRETASE BACE1, BACE2, APP MAOB 784/4885MAOA 884/4885SNCA 197/4885

“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.