SCHEMBL653484

SCHEMBL653484

Nc1nc(-c2c[nH]nn2)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
MAPT P10636 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 7/20 0.42
LTA4H P09960 3/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
POLB P06746 1/20 0.41
HSD17B10 Q99714 6/20 0.40
CYP3A4 P08684 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GFER P55789 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL10719025 0.78 ALDH1A1 (0.61) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL87533 0.75
SCHEMBL28232834 0.73 NPC1 (0.31) NPC1RAB9AMAPTHSD17B10CYP3A4
SCHEMBL10857650 0.72 ALDH1A1 (0.33) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL1422429 0.67 KMT2A (0.39) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL23457475 0.67 KDM4E (0.50) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL13995930 0.66 MAPT (0.48) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL17907394 0.66 KDM4E (0.39) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL594201 0.65 PRKACA (0.47) ALDH1A1KDM4ECYP1A2
SCHEMBL1771825 0.64 ALDH1A1 (0.79) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102584813-B Compound and the purposes in regulating amyloid beta thereof NGC药物公司 2016-07-06 CN disclosed
EP-1628666-B1 COMPOUDS AND USES THEREOF IN MODULATING AMYLOID BETA NEUROGENETIC PHARMACEUTICALS INC (US) 2015-09-23 EP disclosed
CN-102584813-A Compouds and uses thereof in modulating amyloid beta TORREYPINES THERAPEUTICS INC 2012-07-18 CN 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
CN-1787822-A Compounds and their use in modulating amyloid beta TORREYPINES THERAPEUTICS INC (US) 2006-06-14 CN 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 NPC1 61/4885RAB9A 2158/4885MAPT 10/4885
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta APP, BACE1, BACE2 NPC1 61/4885RAB9A 2158/4885MAPT 10/4885
US-20050070538-A1 Compounds and uses thereof in modulating amyloid beta APP, BACE1, BACE2 NPC1 61/4885RAB9A 2158/4885MAPT 10/4885
US-20100331551-A1 ALPHA-HALOKETONE DERIVATIVES OF IMIDAZOLYL-SUBSTITUTED AROMATIC COMPOUNDS AND COMPOUNDS PREPARED THEREFROM HYPK, APP, NEFM NPC1 229/4885RAB9A 3673/4885MAPT 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 NPC1 719/4885RAB9A 2805/4885MAPT 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.