SCHEMBL10072614

SCHEMBL10072614

Cc1ccc(Nc2nc(-c3ccc(-n4ccnc4)cc3)cs2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.68
NPC1 O15118 8/20 0.68
MAPT P10636 7/20 0.68
KMT2A Q03164 6/20 0.68
MEN1 O00255 5/20 0.68
CYP1A2 P05177 2/20 0.65
CYP1A1 P04798 1/20 0.65
CYP1B1 Q16678 1/20 0.65
AMY1A P0DUB6 2/20 0.62
ALOX5 P09917 1/20 0.62
PSEN1 P49768 1/20 0.61
PSEN2 P49810 1/20 0.61
APH1B Q8WW43 1/20 0.61
NCSTN Q92542 1/20 0.61
APH1A Q96BI3 1/20 0.61
PSENEN Q9NZ42 1/20 0.61
PTGS2 P35354 2/20 0.59
SMN1; SMN2 Q16637 6/20 0.51
GAA P10253 5/20 0.51
HTT P42858 3/20 0.51

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
SCHEMBL12297745 0.91 PSEN1 (0.62) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL12298224 0.89 MEN1 (0.69) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL8296776 0.88 CYP1A1 (0.65) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL12297984 0.88 ESR1 (0.68) NPC1MAPTKMT2AMEN1CYP1A2
SCHEMBL10072683 0.88 CYP1A1 (0.65) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL12297890 0.88 CYP1A1 (0.65) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL8296712 0.87 PTGS2 (0.71) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL12298043 0.87 CYP1A1 (0.61) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL12297885 0.87 PSEN1 (0.63) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL12298333 0.85 PSEN1 (0.75) RAB9ANPC1MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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-20100324032-A1 COMPOUNDS AND USES THEREOF IN MODULATING AMYLOID BETA APP, BACE1, BACE2 RAB9A 2158/4885NPC1 61/4885MAPT 10/4885
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta APP, BACE1, BACE2 RAB9A 2158/4885NPC1 61/4885MAPT 10/4885
US-20100331551-A1 ALPHA-HALOKETONE DERIVATIVES OF IMIDAZOLYL-SUBSTITUTED AROMATIC COMPOUNDS AND COMPOUNDS PREPARED THEREFROM HYPK, APP, NEFM RAB9A 3673/4885NPC1 229/4885MAPT 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 RAB9A 2805/4885NPC1 719/4885MAPT 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.