SCHEMBL654342

SCHEMBL654342

Cc1ccc(-n2cccc2)cc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
KDM4E B2RXH2 5/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
CASP1 P29466 1/20 0.46
CYP3A4 P08684 4/20 0.43
GAA P10253 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 2/20 0.38
MAPK1 P28482 2/20 0.38
POLB P06746 2/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MCL1 Q07820 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL8860750 0.80 MAPT (0.56) MAPTKDM4ENPSR1MEN1KMT2A
SCHEMBL3344599 0.79 KMT2A (0.51) MAPTKDM4ENPSR1MEN1KMT2A
SCHEMBL6522042 0.76 MAPT (0.43) MAPTKDM4ENPSR1MEN1KMT2A
SCHEMBL9042829 0.75 PKM (0.45) MAPTKDM4ENPSR1MEN1KMT2A
SCHEMBL10445854 0.75 MAPT (0.41) MAPTKDM4ENPSR1MEN1KMT2A
SCHEMBL9042460 0.75 MAPT (0.42) MAPTKDM4ENPSR1MEN1KMT2A
SCHEMBL9042497 0.72 P2RX7 (0.42) MAPTKDM4ENPSR1MEN1KMT2A
SCHEMBL3343040 0.72 NR2E1 (0.48) MAPTKDM4ENPSR1MEN1KMT2A
SCHEMBL11864269 0.72 MEN1 (0.72) NPSR1MEN1KMT2AALDH1A1CASP1
SCHEMBL3342474 0.72 POLB (0.47) MAPTKDM4ENPSR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1628666-B1 COMPOUDS AND USES THEREOF IN MODULATING AMYLOID BETA NEUROGENETIC PHARMACEUTICALS INC (US) 2015-09-23 EP disclosed
EP-1628666-B1 COMPOUDS AND USES THEREOF IN MODULATING AMYLOID BETA NEUROGENETIC PHARMACEUTICALS INC (US) 2015-09-23 EP disclosed
US-8119680-B2 α-Haloketone derivatives of imidazolyl-substituted aromatic compounds and compounds prepared therefrom NEUROGENETIC PHARMACEUTICALS, INC. (US) 2012-02-21 US disclosed
US-8119680-B2 α-Haloketone derivatives of imidazolyl-substituted aromatic compounds and compounds prepared therefrom NEUROGENETIC PHARMACEUTICALS, INC. (US) 2012-02-21 US disclosed
US-8119680-B2 α-Haloketone derivatives of imidazolyl-substituted aromatic compounds and compounds prepared therefrom NEUROGENETIC PHARMACEUTICALS, INC. (US) 2012-02-21 US disclosed
US-8017629-B2 Compounds and uses thereof in modulating amyloid β NEUROGENETIC PHARMACEUTICALS, INC. (US) 2011-09-13 US disclosed
US-8017629-B2 Compounds and uses thereof in modulating amyloid β NEUROGENETIC PHARMACEUTICALS, INC. (US) 2011-09-13 US disclosed
US-8017629-B2 Compounds and uses thereof in modulating amyloid β NEUROGENETIC PHARMACEUTICALS, INC. (US) 2011-09-13 US disclosed
US-20100331551-A1 ALPHA-HALOKETONE DERIVATIVES OF IMIDAZOLYL-SUBSTITUTED AROMATIC COMPOUNDS AND COMPOUNDS PREPARED THEREFROM NEUROGENETIC PHARMACEUTICALS, INC 2010-12-30 US disclosed
US-20100331551-A1 ALPHA-HALOKETONE DERIVATIVES OF IMIDAZOLYL-SUBSTITUTED AROMATIC COMPOUNDS AND COMPOUNDS PREPARED THEREFROM NEUROGENETIC PHARMACEUTICALS, INC 2010-12-30 US disclosed
US-20070249833-A1 such as 2-bromo-1-[6-(4-methyl-imidazole-1-yl)-pyridin-3-yl]-ethanone, which have activity in modulating levels of amyloid-beta, useful in the treatment of neurodegenerative diseases, such as Alzheimer's disease TORREYPINES THERAPEUTICS INC. 2007-10-25 US disclosed
US-20070249833-A1 such as 2-bromo-1-[6-(4-methyl-imidazole-1-yl)-pyridin-3-yl]-ethanone, which have activity in modulating levels of amyloid-beta, useful in the treatment of neurodegenerative diseases, such as Alzheimer's disease TORREYPINES THERAPEUTICS INC. 2007-10-25 US disclosed
US-20070249833-A1 such as 2-bromo-1-[6-(4-methyl-imidazole-1-yl)-pyridin-3-yl]-ethanone, which have activity in modulating levels of amyloid-beta, useful in the treatment of neurodegenerative diseases, such as Alzheimer's disease TORREYPINES THERAPEUTICS INC. 2007-10-25 US disclosed
US-7244739-B2 Compounds and uses thereof in modulating amyloid beta TORREYPINES THERAPEUTICS, INC. (US) 2007-07-17 US disclosed
US-7244739-B2 Compounds and uses thereof in modulating amyloid beta TORREYPINES THERAPEUTICS, INC. (US) 2007-07-17 US disclosed
US-7244739-B2 Compounds and uses thereof in modulating amyloid beta TORREYPINES THERAPEUTICS, INC. (US) 2007-07-17 US disclosed
EP-1628666-A2 COMPOUDS AND USES THEREOF IN MODULATING AMYLOID BETA Torreypines Therapeutics, Inc. (US) 2006-03-01 EP disclosed
US-20050070538-A1 Compounds and uses thereof in modulating amyloid beta SIROCCO THERAPEUTICS, INC. 2005-03-31 US disclosed
WO-2004110350-A2 COMPOUDS AND USES THEREOF IN MODULATING AMYLOID BETA TORREYPINES THERAPEUTICS, INC. (US) 2004-12-23 WO disclosed
WO-2004110350-A2 COMPOUDS AND USES THEREOF IN MODULATING AMYLOID BETA TORREYPINES THERAPEUTICS, INC. (US) 2004-12-23 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 (3 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-20050070538-A1 Compounds and uses thereof in modulating amyloid beta APP, BACE1, BACE2 MAPT 10/4885KDM4E 4092/4885NPSR1 890/4885
US-20100331551-A1 ALPHA-HALOKETONE DERIVATIVES OF IMIDAZOLYL-SUBSTITUTED AROMATIC COMPOUNDS AND COMPOUNDS PREPARED THEREFROM HYPK, APP, NEFM MAPT 7/4885KDM4E 3526/4885NPSR1 2585/4885
US-20070249833-A1 such as 2-bromo-1-[6-(4-methyl-imidazole-1-yl)-pyridin-3-yl]-ethanone, which have activity in modulating levels of amyloid-beta, useful in the treatment of neurodegenerative diseases, such as Alzheimer's disease PSEN2, APP, BACE1 MAPT 24/4885KDM4E 1424/4885NPSR1 4045/4885

“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.