SCHEMBL1254005

SCHEMBL1254005

Cc1c(C=O)sc2ccc(Cl)cc12

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 6/20 0.49
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 1/20 0.45
KDM4E B2RXH2 1/20 0.44
CYP2A6 P11509 1/20 0.43
AKR1B1 P15121 1/20 0.42
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
CMA1 P23946 3/20 0.40
PFKFB3 Q16875 3/20 0.40
PFKFB4 Q16877 3/20 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
SCHEMBL16934958 0.86 MCL1 (0.42) ROCK1NPSR1L3MBTL1MAPTKDM4E
SCHEMBL3222046 0.86 KDM4E (0.46) ROCK1NPSR1L3MBTL1MAPTKDM4E
SCHEMBL2953458 0.83 ROCK1 (0.49) ROCK1NPSR1L3MBTL1MAPTKDM4E
SCHEMBL10385134 0.81 KDM4E (0.45) ROCK1NPSR1L3MBTL1MAPTKDM4E
SCHEMBL1251780 0.79 CYP17A1 (0.49) KDM4ECYP2A6CMA1PFKFB4
SCHEMBL4655134 0.79 CYP2A6 (0.47) CYP2A6PIM1PIM2PFKFB3PFKFB4
SCHEMBL29955848 0.79 KDM4E (0.44) ROCK1KDM4ECYP2A6PIM1PIM2
SCHEMBL16934955 0.79 KDM4E (0.41) ROCK1NPSR1L3MBTL1MAPTKDM4E
SCHEMBL6958908 0.77 ALDH1A1 (0.49) NPSR1L3MBTL1MAPTKDM4ECYP2A6
SCHEMBL2071095 0.77 CYP2A6 (0.39) L3MBTL1MAPTKDM4ECYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778932-B2 Dihydro-oxazolobenzodiazepinone compounds, a process for there preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2014-07-15 US disclosed
EP-1575951-B1 HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY DEBIOPHARM INT SA (CH) 2014-06-25 EP disclosed
EP-2497774-B1 Dihydro-oxazolobenzodiazepinone derivatives, processes for their preparation and pharmaceutical compositions comprising these compounds SERVIER LAB (FR) 2013-10-16 EP disclosed
WO-2012120206-A1 NOVEL DIHYDRO-OXAZOLOBENZODIAZEPINONE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2012-09-13 WO disclosed
US-20120232065-A1 DIHYDRO-OXAZOLOBENZODIAZEPINONE COMPOUNDS, A PROCESS FOR THERE PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM EGIS GYOGYSZERGYAR NYRT (HU) 2012-09-13 US disclosed
EP-2497774-A1 Dihydro-oxazolobenzodiazepinone derivatives, processes for their preparation and pharmaceutical compositions comprising these compounds Les Laboratoires Servier (FR) 2012-09-12 EP disclosed
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same BERMAN JUDD M (CA) 2012-01-12 US disclosed
US-20110124633-A1 Heterocyclic Compounds, Methods of Making Them and Their Use in Therapy BERMAN JUDD 2011-05-26 US disclosed
US-7879872-B2 comprising (E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide or pharmaceutically acceptable salts thereof; and gentamicin; wherein combination has an fractional inhibitory coconcentration index value of 0.3 against S. aureus 29213 AFFINIUM PHARMACEUTICALS, INC. (CA) 2011-02-01 US disclosed
US-7790709-B2 inhibitors of bacterial enzymes such as (E)-3-(3,3-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido [2,3-e][1,4]diazepin-7-yl)-N-methyl-N-(3-methyl-benzofuran-2-ylmethyl)acrylamide, used as antibiotics AFFINIUM PHARMACEUTICALS, INC. (CA) 2010-09-07 US disclosed
EP-1608377-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARM INC (CA) 2008-10-01 EP disclosed
US-20060183908-A1 inhibitors of bacterial enzymes such as (E)-3-(3,3-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido [2,3-e][1,4]diazepin-7-yl)-N-methyl-N-(3-methyl-benzofuran-2-ylmethyl)acrylamide, used as antibiotics AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-08-17 US disclosed
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-06-29 US disclosed
EP-1575951-A1 HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY Affinium Pharmaceuticals, Inc. (CA) 2005-09-21 EP disclosed
WO-2004052890-A1 HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY AFFINIUM PHARMACEUTICALS, INC. (CA) 2004-06-24 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-20060183908-A1 inhibitors of bacterial enzymes such as (E)-3-(3,3-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido [2,3-e][1,4]diazepin-7-yl)-N-methyl-N-(3-methyl-benzofuran-2-ylmethyl)acrylamide, used as antibiotics AADAC, AZI2, DCXR ROCK1 4445/4885NPSR1 3832/4885L3MBTL1 1314/4885
US-20110124633-A1 Heterocyclic Compounds, Methods of Making Them and Their Use in Therapy NQO1, AADAC, SDHA ROCK1 3545/4885NPSR1 2303/4885L3MBTL1 1898/4885
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same DBI, SERPINB1, CTSF ROCK1 1517/4885NPSR1 4173/4885L3MBTL1 4186/4885
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same DBI, SERPINB1, CTSF ROCK1 1517/4885NPSR1 4173/4885L3MBTL1 4186/4885
US-20120232065-A1 DIHYDRO-OXAZOLOBENZODIAZEPINONE COMPOUNDS, A PROCESS FOR THERE PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GRIN2C, GRIN2B, GRIN2A ROCK1 3543/4885NPSR1 248/4885L3MBTL1 3860/4885

“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.