SCHEMBL9711

SCHEMBL9711

Nc1ccc2cc(-c3ccccc3C(=O)O)ccc2n1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 11/20 0.61
CTSD P07339 1/20 0.61
PLAU P00749 3/20 0.49
RAB9A P51151 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ACHE P22303 1/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NCF1 P14598 1/20 0.42
NOS2 P35228 1/20 0.42

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
SCHEMBL9932 0.81 BACE1 (0.59) BACE1CTSDRAB9ASLC6A2SLC6A4
SCHEMBL30838469 0.78 MCL1 (0.66) RAB9AMEN1KMT2ANPC1
SCHEMBL84188 0.78 SLC6A2 (0.66) RAB9ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL30610922 0.78 SLC6A2 (0.66) RAB9ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL29618929 0.78 SLC6A2 (0.66) RAB9ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL8691 0.77 ALOX5AP (0.52) BACE1CTSD
Bromide SCHEMBL7032662 0.77 SLC6A2 (0.64) RAB9ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL22926832 0.76 BACE1 (1.00) BACE1CTSDPLAUNCF1NOS2
SCHEMBL4756382 0.76 DHFR (0.52)
SCHEMBL1767713 0.76 BACE1 (1.00) BACE1CTSDPLAUACHENCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2012-12-27 US disclosed
EP-2504315-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2012-10-03 EP disclosed
WO-2011063233-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-26 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-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APP BACE1 1/4885CTSD 827/4885PLAU 2335/4885

“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.