SCHEMBL726169

SCHEMBL726169

CN(Cc1cn(C)c2cccnc12)C(=O)/C=C/c1ccc(N)nc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
TRPM5 Q9NZQ8 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CMA1 P23946 1/20 0.33

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
SCHEMBL1092577 1.00 POLB (0.37) POLBTRPM5HDAC1HDAC2HDAC6
SCHEMBL725021 0.86 HDAC1 (0.44) HDAC1HDAC2HDAC6
SCHEMBL725024 0.86 HDAC1 (0.44) HDAC1HDAC2HDAC6
SCHEMBL1092789 0.84 POLB (0.37) POLBHDAC1HDAC2HDAC6
SCHEMBL2276122 0.84 POLB (0.37) POLBHDAC1HDAC2HDAC6
SCHEMBL725263 0.84 POLB (0.37) POLBHDAC1HDAC2HDAC6
SCHEMBL725798 0.84 POLB (0.37) POLBHDAC1HDAC2HDAC6
SCHEMBL725232 0.84 POLB (0.37) POLBHDAC1HDAC2HDAC6
SCHEMBL1094316 0.84 POLB (0.37) POLBHDAC1HDAC2HDAC6
SCHEMBL726114 0.83 POLB (0.38) POLBCMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1560584-B1 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2009-01-14 EP claimed
US-20060116394-A1 Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2006-06-01 US claimed
US-20040147580-A1 Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2004-07-29 US claimed
US-20130281442-A1 Compounds for Treatment of Bovine Mastitis DEBIOPHARM INTERNATIONAL SA (CH) 2013-10-24 US disclosed
EP-2579863-A2 COMPOUNDS FOR TREATMENT OF BOVINE MASTITIS Affinium Pharmaceuticals, Inc. (CA) 2013-04-17 EP disclosed
US-8153652-B2 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-04-10 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
WO-2011156811-A2 COMPOUNDS FOR TREATMENT OF BOVINE MASTITIS AFFINIUM PHARMACEUTICALS, INC. (CA) 2011-12-15 WO disclosed
US-20110098277-A1 Fab I Inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2011-04-28 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-7741339-B2 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2010-06-22 US disclosed
US-20090221699-A1 E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide, useful in the treatment bacterial infections. DEBIOPHARM INTERNATIONAL SA (CH) 2009-09-03 US disclosed
EP-1560584-B1 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2009-01-14 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-7250424-B2 E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide, useful in the treatment bacterial infections. AFFINIUM PHARMACEUTICALS, INC. (CA) 2007-07-31 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
US-20060116394-A1 Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2006-06-01 US disclosed
US-7049310-B2 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-05-23 US disclosed
US-20040147580-A1 Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2004-07-29 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 (7 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-20090221699-A1 E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide, useful in the treatment bacterial infections. ACR, NANP, MDN1 POLB 971/4885TRPM5 3603/4885HDAC1 735/4885
US-20130281442-A1 Compounds for Treatment of Bovine Mastitis LPO, MPO, MMP8 POLB 2413/4885TRPM5 1394/4885HDAC1 488/4885
US-20060116394-A1 Fab I inhibitors SERPINB1, TMBIM6, GDI2 POLB 745/4885TRPM5 4016/4885HDAC1 97/4885
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same DBI, SERPINB1, CTSF POLB 851/4885TRPM5 3999/4885HDAC1 82/4885
US-20040147580-A1 Fab I inhibitors SERPINB1, TMBIM6, GDI1 POLB 629/4885TRPM5 4067/4885HDAC1 77/4885
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same DBI, SERPINB1, CTSF POLB 851/4885TRPM5 3999/4885HDAC1 82/4885
US-20110098277-A1 Fab I Inhibitors SERPINB1, TMBIM6, GDI2 POLB 745/4885TRPM5 4016/4885HDAC1 97/4885

“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.