SCHEMBL12299575

SCHEMBL12299575

CN(C=O)/C(N)=N\C1CC(c2ccccc2)Oc2ccc(-c3cccc(C#N)c3)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 2/20 0.36
PAX8 Q06710 2/20 0.33
DPP4 P27487 2/20 0.32
FFAR2 O15552 1/20 0.32
BACE1 P56817 5/20 0.32
CTSD P07339 2/20 0.32
XDH P47989 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
KDM1A O60341 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
SCD O00767 1/20 0.31
SCD5 Q86SK9 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 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
SCHEMBL7958731 0.93 FADS1 (0.37) GPR88PAX8DPP4BACE1CTSD
SCHEMBL7962464 0.87 BACE1 (0.33) BACE1CTSDALDH1A1
SCHEMBL7960735 0.81 CYP19A1 (0.34) ALDH1A1CYP3A4MAOB
SCHEMBL882888 0.75 BACE1 (0.43) PAX8DPP4BACE1CTSDDPP8
SCHEMBL7891697 0.72 BACE1 (0.38) BACE1CTSD
SCHEMBL7961574 0.70 GPR88 (0.38) GPR88PAX8FFAR2XDHSLC22A12
SCHEMBL7958664 0.69 AR (0.31)
SCHEMBL12299286 0.69 AR (0.35)
SCHEMBL7960933 0.69 CFTR (0.34) ALDH1A1CYP3A4MAOB
SCHEMBL12827653 0.68 BACE1 (0.40) DPP4BACE1DPP8DPP9DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110218192-A1 Inhibitors Of Beta-Secretase VITAE PHARMACEUTICALS, INC. (US) 2011-09-08 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 (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-20110218192-A1 Inhibitors Of Beta-Secretase BACE1, BACE2, APP GPR88 3289/4885PAX8 4868/4885DPP4 120/4885

“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.