SCHEMBL1093134

SCHEMBL1093134

O=C(O)C=Cc1ccc2c(c1)CC(=O)N2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.49
KDM4E B2RXH2 4/20 0.46
HSD17B10 Q99714 3/20 0.46
ALOX5 P09917 2/20 0.46
CA12 O43570 2/20 0.46
AKR1B10 O60218 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA3 P07451 2/20 0.46
AKR1B1 P15121 2/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 2/20 0.46
DPP4 P27487 2/20 0.46
CA5A P35218 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46

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
SCHEMBL1093132 1.00 AHR (0.49) AHRKDM4EHSD17B10ALOX5CA12
Hydrochloric Acid SCHEMBL1092478 0.98 AHR (0.47) AHRKDM4EHSD17B10ALOX5CA12
Hydrochloric Acid SCHEMBL1092481 0.98 AHR (0.47) AHRKDM4EHSD17B10ALOX5CA12
SCHEMBL25242305 0.88 AHR (0.49) AHRKDM4EHSD17B10ALOX5CA12
SCHEMBL6642111 0.87 TBXAS1 (0.53) KDM4EHSD17B10ALOX5CA12AKR1B10
SCHEMBL6642106 0.87 TBXAS1 (0.53) KDM4EHSD17B10ALOX5CA12AKR1B10
SCHEMBL12200910 0.83 CCNB2 (0.52) AHRKDM4ECA12CA1CA2
SCHEMBL4088755 0.83 ALOX5 (0.44) KDM4EHSD17B10ALOX5CA12AKR1B10
SCHEMBL4088757 0.83 ALOX5 (0.44) KDM4EHSD17B10ALOX5CA12AKR1B10
SCHEMBL1093540 0.80 CRBN (0.45) AHRHDAC1GAAPDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 (6 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 AHR 2853/4885KDM4E 2178/4885HSD17B10 4023/4885
US-20060116394-A1 Fab I inhibitors SERPINB1, TMBIM6, GDI2 AHR 4638/4885KDM4E 4668/4885HSD17B10 1583/4885
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same DBI, SERPINB1, CTSF AHR 4041/4885KDM4E 4139/4885HSD17B10 2027/4885
US-20040147580-A1 Fab I inhibitors SERPINB1, TMBIM6, GDI1 AHR 4619/4885KDM4E 4602/4885HSD17B10 1688/4885
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same DBI, SERPINB1, CTSF AHR 4041/4885KDM4E 4139/4885HSD17B10 2027/4885
US-20110098277-A1 Fab I Inhibitors SERPINB1, TMBIM6, GDI2 AHR 4638/4885KDM4E 4668/4885HSD17B10 1583/4885

“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.