SCHEMBL570638

SCHEMBL570638

CCN(CC)C(=O)c1cc(Br)ccc1Oc1ccc[n+]([O-])c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.37
PTGER1 P34995 1/20 0.35
AR P10275 2/20 0.35
SCN9A Q15858 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
TP53 P04637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
GFER P55789 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL571261 0.79 USP2 (0.43) USP2LMNAMAPTPTGER1AR
SCHEMBL570986 0.73 USP2 (0.45) USP2LMNAMAPTPTGER1SCN9A
SCHEMBL2371535 0.73 USP2 (0.47) USP2LMNASCN9AL3MBTL1KDM4E
SCHEMBL9569294 0.69 KEAP1 (0.43) USP2LMNAMAPTL3MBTL1TSHR
SCHEMBL18740487 0.68 TP53 (0.50) USP2LMNAMAPTKDM4EPOLB
SCHEMBL3341268 0.67 DGAT1 (0.54) USP2LMNAL3MBTL1TSHRTP53
SCHEMBL1998955 0.67 ALDH1A1 (0.42) USP2LMNAMAPTSCN9AL3MBTL1
SCHEMBL15448602 0.67 USP2 (0.42) USP2LMNAMAPTSCN9AL3MBTL1
SCHEMBL2370957 0.67 USP2 (0.42) USP2LMNAMAPTSCN9AL3MBTL1
SCHEMBL10082156 0.66 USP2 (0.57) USP2LMNAL3MBTL1TSHRTP53

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346827-B2 5-amino-oxazepine and 5-amino-thiazepane compounds as beta secretase antagonists and methods of use AMGEN INC. (US) 2016-05-24 US disclosed
US-8962859-B2 Spiro-amino-imidazo-fused heterocyclic compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2015-02-24 US disclosed
US-8957083-B2 Spiro-amino-imidazolone and spiro-amino-dihydro-pyrimidinone compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2015-02-17 US disclosed
US-8921363-B2 Derivatives of 1 H-isoindol-3-amine, 1 H-iso-aza-indol-3amine, 3,4-dihydroisoquinolin-1-amine, and 1,4-dihydroisoquinolin-3-amine as beta-secretase inhibitors AMGEN INC. (US) 2014-12-30 US disclosed
US-8883782-B2 Spiro-tetracyclic ring compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-11-11 US disclosed
EP-2601197-B1 AMINO-ISO-INDOLE, AMINO-AZA-ISO-INDOLE, AMINO-DIHYDROISOQUINOLINE AND AMINO-BENZOXAZINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2014-06-25 EP disclosed
EP-2328903-B1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2014-03-05 EP disclosed
US-20140038954-A1 Spiro-Amino-Imidazo-Fused Heterocyclic Compounds as Beta-secretase Modulators and Methods of Use AMGEN INC. (US) 2014-02-06 US disclosed
US-20140031340-A1 5-Amino-Oxazepine and 5-Amino-Thiazepane Compounds as Beta Secretase Antagonists and Methods of Use AMGEN INC. (US) 2014-01-30 US disclosed
EP-2675810-A1 SPIRO-AMINO-IMIDAZO-FUSED HETEROCYCLIC COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2013-12-25 EP disclosed
EP-2547685-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS Amgen Inc. (US) 2013-01-23 EP disclosed
WO-2012112462-A1 SPIRO-AMINO-IMIDAZO-FUSED HETEROCYCLIC COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2012-08-23 WO disclosed
WO-2012109165-A1 5-AMINO-OXAZEPINE AND 5-AMINO-THIAZEPANE COMPOUNDS AS BETA-SECRETASE ANTAGONISTS AND METHODS OF USE AMGEN INC. (US) 2012-08-16 WO disclosed
WO-2012071279-A1 SPIRO-AMINO-IMIDAZOLONE AND SPIRO-AMINO-DIHYDRO-PYRIMIDINONE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2012-05-31 WO disclosed
WO-2012019056-A1 AMINO-ISO-INDOLE, AMINO-AZA-ISO-INDOLE, AMINO-DIHYDROISOQUINOLINE AND AMINO-BENZOXAZINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2012-02-09 WO disclosed
US-20110251190-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-10-13 US disclosed
WO-2011115938-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS AMGEN INC. (US) 2011-09-22 WO disclosed
EP-2328903-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2011-06-08 EP disclosed
US-20100087429-A1 SPIRO-TRICYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-04-08 US disclosed
WO-2010030954-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-03-18 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 (4 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-20140031340-A1 5-Amino-Oxazepine and 5-Amino-Thiazepane Compounds as Beta Secretase Antagonists and Methods of Use BACE1, BACE2, APP USP2 3469/4885LMNA 3742/4885MAPT 583/4885
US-20140038954-A1 Spiro-Amino-Imidazo-Fused Heterocyclic Compounds as Beta-secretase Modulators and Methods of Use BACE1, BACE2, APP USP2 4358/4885LMNA 2304/4885MAPT 797/4885
US-20110251190-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP USP2 3471/4885LMNA 1131/4885MAPT 753/4885
US-20100087429-A1 SPIRO-TRICYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP USP2 3584/4885LMNA 796/4885MAPT 788/4885

“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.