SCHEMBL725699

SCHEMBL725699

COC(=O)c1cccc2c(C(C)N(C)C(=O)/C=C/c3ccc(N)nc3)c[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
NR4A2 P43354 3/20 0.35
CLEC4M Q9H2X3 1/20 0.35
MAP2K1 Q02750 1/20 0.33
BACE1 P56817 1/20 0.32
MET P08581 3/20 0.31
RAB9A P51151 1/20 0.31
MAP3K7 O43318 1/20 0.30
TAB1 Q15750 1/20 0.30
CREBBP Q92793 1/20 0.30
AXL P30530 1/20 0.30

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
SCHEMBL725700 1.00 KDM4E (0.43) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL724681 0.90 HTT (0.36) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL724680 0.90 HTT (0.36) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL727103 0.88 HDAC3 (0.40) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL727104 0.88 HDAC3 (0.40) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL727167 0.87 MET (0.34) KDM4ELMNAMAPTHPGDMET
SCHEMBL727166 0.87 MET (0.34) KDM4ELMNAMAPTHPGDMET
SCHEMBL725256 0.87 SOS2 (0.35) ALDH1A1MAPTHPGDHTTNR4A2
SCHEMBL725255 0.87 SOS2 (0.35) ALDH1A1MAPTHPGDHTTNR4A2
SCHEMBL726054 0.86 TDO2 (0.36) NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-1608377-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS Affinium Pharmaceuticals, Inc. (CA) 2005-12-28 EP disclosed
EP-1560584-A4 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2005-10-12 EP disclosed
EP-1560584-A2 FAB I INHIBITORS Affinium Pharmaceuticals, Inc. (CA) 2005-08-10 EP disclosed
WO-2004082586-A2 PHAMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARMACEUTICALS, INC. (US) 2004-09-30 WO disclosed
US-20040147580-A1 Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2004-07-29 US disclosed
WO-2003088897-A2 FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2003-10-30 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 (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 KDM4E 2178/4885ALDH1A1 2127/4885LMNA 733/4885
US-20130281442-A1 Compounds for Treatment of Bovine Mastitis LPO, MPO, MMP8 KDM4E 2691/4885ALDH1A1 745/4885LMNA 3659/4885
US-20060116394-A1 Fab I inhibitors SERPINB1, TMBIM6, GDI2 KDM4E 4668/4885ALDH1A1 4020/4885LMNA 3448/4885
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same DBI, SERPINB1, CTSF KDM4E 4139/4885ALDH1A1 4188/4885LMNA 2093/4885
US-20040147580-A1 Fab I inhibitors SERPINB1, TMBIM6, GDI1 KDM4E 4602/4885ALDH1A1 3962/4885LMNA 3407/4885
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same DBI, SERPINB1, CTSF KDM4E 4139/4885ALDH1A1 4188/4885LMNA 2093/4885
US-20110098277-A1 Fab I Inhibitors SERPINB1, TMBIM6, GDI2 KDM4E 4668/4885ALDH1A1 4020/4885LMNA 3448/4885

“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.