SCHEMBL13644

SCHEMBL13644

COc1ccc(CNc2nc3ccc(Br)cc3cc2/C=C/C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
TP53 P04637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FLT3 P36888 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41

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
SCHEMBL14321232 1.00 MAPT (0.43) MAPTTP53TDP1MEN1KMT2A
SCHEMBL8834 0.92 POLB (0.47) MAPTTP53TDP1MEN1KMT2A
SCHEMBL9775 0.92 POLB (0.47) MAPTTP53TDP1MEN1KMT2A
SCHEMBL13906 0.86 MAPT (0.41) MAPTTP53TDP1MEN1KMT2A
SCHEMBL9404 0.86 MEN1 (0.43) MAPTTP53TDP1MEN1KMT2A
SCHEMBL9405 0.86 MEN1 (0.43) MAPTTP53TDP1MEN1KMT2A
SCHEMBL9314 0.85 MEN1 (0.48) MAPTTP53TDP1MEN1KMT2A
SCHEMBL13635 0.84 MEN1 (0.43) MAPTTP53TDP1MEN1KMT2A
SCHEMBL14322551 0.82 ALDH1A1 (0.46) MAPTTP53TDP1MEN1KMT2A
SCHEMBL14322549 0.82 ALDH1A1 (0.46) MAPTTP53TDP1MEN1KMT2A

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
US-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
US-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
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
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2012-12-27 US disclosed
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2012-12-27 US 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 MAPT 809/4885TP53 2390/4885TDP1 778/4885

“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.