SCHEMBL1253301

SCHEMBL1253301

CNC(=O)c1cc2cc(Cl)ccc2n1C

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.72
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
PHGDH O43175 11/20 0.58
AHR P35869 1/20 0.51
THRB P10828 1/20 0.50
ROCK1 Q13464 1/20 0.49

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
SCHEMBL17324809 0.82 RXFP1 (0.64) RXFP1MEN1KMT2APHGDHAHR
SCHEMBL43328 0.82 KDM4E (0.66) RXFP1MEN1KMT2APHGDHAHR
SCHEMBL12649635 0.81 THRB (0.50) RXFP1MEN1KMT2ATHRB
SCHEMBL2277162 0.81 KDM4E (0.69) RXFP1MEN1KMT2ATHRB
SCHEMBL4919697 0.81 L3MBTL1 (0.70) RXFP1MEN1KMT2APHGDHAHR
SCHEMBL13415456 0.81 RXFP1 (0.62) RXFP1MEN1KMT2APHGDHAHR
Hydrochloric Acid SCHEMBL8687052 0.80 RXFP1 (0.62) RXFP1MEN1KMT2APHGDHAHR
SCHEMBL2643465 0.79 RXFP1 (0.60) RXFP1MEN1KMT2APHGDHAHR
SCHEMBL9514737 0.79 L3MBTL1 (0.76) MEN1KMT2ATHRB
SCHEMBL1093913 0.79 MCL1 (0.67) MEN1KMT2APHGDHROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575951-B1 HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY DEBIOPHARM INT SA (CH) 2014-06-25 EP disclosed
EP-1575951-B1 HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY DEBIOPHARM INT SA (CH) 2014-06-25 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-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same BERMAN JUDD M (CA) 2012-01-12 US 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-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-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-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
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
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-1608377-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS Affinium Pharmaceuticals, Inc. (CA) 2005-12-28 EP 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-2004082586-A2 PHAMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARMACEUTICALS, INC. (US) 2004-09-30 WO 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 (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-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 RXFP1 4600/4885MEN1 4372/4885KMT2A 752/4885
US-20110124633-A1 Heterocyclic Compounds, Methods of Making Them and Their Use in Therapy NQO1, AADAC, SDHA RXFP1 3761/4885MEN1 969/4885KMT2A 3368/4885
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same DBI, SERPINB1, CTSF RXFP1 3956/4885MEN1 2222/4885KMT2A 4353/4885
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same DBI, SERPINB1, CTSF RXFP1 3956/4885MEN1 2222/4885KMT2A 4353/4885

“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.