SCHEMBL654234

SCHEMBL654234

CCc1c[nH]c(-c2ccc(C(=O)CBr)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.46
PTPN1 P18031 6/20 0.46
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.35
AGTR1 P30556 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL7486822 0.73 ALDH1A1 (0.39) MAPTSMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL2821562 0.73 KDM4E (0.39) GSK3BSMN1; SMN2ALDH1A1HPGDGAA
SCHEMBL2780530 0.72 POLB (0.41) MAPTSMN1; SMN2L3MBTL1ALDH1A1HPGD
SCHEMBL8963771 0.72 GSK3B (0.46) GSK3BPTPN1MAPTALDH1A1HPGD
SCHEMBL5561443 0.71 NPBWR1 (0.32) SMN1; SMN2HDAC3HDAC1HDAC8HDAC6
SCHEMBL689331 0.71 GSK3B (0.83) GSK3BPTPN1MAPTSMN1; SMN2L3MBTL1
SCHEMBL8205338 0.71 GSK3B (0.63) GSK3BPTPN1MAPTSMN1; SMN2L3MBTL1
SCHEMBL15333368 0.71 MAPT (0.42) MAPTSMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL27736189 0.70 KDM4E (0.44) SMN1; SMN2ALDH1A1HPGDLMNAGAA
SCHEMBL7493888 0.70 NPBWR1 (0.48) MAPTSMN1; SMN2L3MBTL1ALDH1A1LMNA

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 14 patents. 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
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-20100331551-A1 ALPHA-HALOKETONE DERIVATIVES OF IMIDAZOLYL-SUBSTITUTED AROMATIC COMPOUNDS AND COMPOUNDS PREPARED THEREFROM NEUROGENETIC PHARMACEUTICALS, INC 2010-12-30 US disclosed
US-20100324032-A1 COMPOUNDS AND USES THEREOF IN MODULATING AMYLOID BETA NEUROGENETIC PHARMACEUTICALS, INC. 2010-12-23 US disclosed
US-7799808-B2 α-Haloketone derivatives of imidazolyl-substituted aromatic compounds and compounds prepared therefrom NEUROGENETIC PHARMACEUTICALS, INC. (US) 2010-09-21 US disclosed
US-7781442-B2 Compounds and uses thereof in modulating amyloid beta NEUROGENETIC PHARMACEUTICALS, INC. (US) 2010-08-24 US disclosed
EP-1628666-A4 COMPOUDS AND USES THEREOF IN MODULATING AMYLOID BETA TORREYPINES THERAPEUTICS INC (US) 2007-12-05 EP disclosed
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta TORREYPINES THERAPEUTICS INC. 2007-11-08 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20100324032-A1 COMPOUNDS AND USES THEREOF IN MODULATING AMYLOID BETA APP, BACE1, BACE2 GSK3B 172/4885PTPN1 4464/4885MAPT 10/4885
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta APP, BACE1, BACE2 GSK3B 172/4885PTPN1 4464/4885MAPT 10/4885
US-20050070538-A1 Compounds and uses thereof in modulating amyloid beta APP, BACE1, BACE2 GSK3B 172/4885PTPN1 4464/4885MAPT 10/4885
US-20100331551-A1 ALPHA-HALOKETONE DERIVATIVES OF IMIDAZOLYL-SUBSTITUTED AROMATIC COMPOUNDS AND COMPOUNDS PREPARED THEREFROM HYPK, APP, NEFM GSK3B 871/4885PTPN1 4769/4885MAPT 7/4885
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 GSK3B 294/4885PTPN1 4564/4885MAPT 24/4885

“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.