SCHEMBL1093392

SCHEMBL1093392

Cn1cc(C=O)c2cccc(F)c21

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
IMPDH2 P12268 1/20 0.54
KDM4E B2RXH2 2/20 0.49
PCSK9 Q8NBP7 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
HTT P42858 4/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ERN1 O75460 1/20 0.42
PARP1 P09874 1/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
PABPC1 P11940 1/20 0.37
ICMT O60725 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
PIM1 P11309 2/20 0.35
PIM3 Q86V86 2/20 0.35
PIM2 Q9P1W9 1/20 0.35

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
SCHEMBL14156855 0.84 ALDH1A1 (0.59) ALDH1A1IMPDH2KDM4ESMN1; SMN2HTT
SCHEMBL1093997 0.81 ALDH1A1 (0.56) ALDH1A1IMPDH2KDM4ESMN1; SMN2HTT
SCHEMBL838056 0.79 ALDH1A1 (0.54) ALDH1A1IMPDH2KDM4ESMN1; SMN2HTT
SCHEMBL1093688 0.77 ALDH1A1 (0.51) ALDH1A1IMPDH2KDM4EHTTERN1
SCHEMBL18014683 0.76 ALDH1A1 (0.49) ALDH1A1IMPDH2KDM4ESMN1; SMN2HTT
SCHEMBL15902591 0.76 ERN1 (0.42) ALDH1A1IMPDH2PCSK9SMN1; SMN2HTT
SCHEMBL8263782 0.74 ALDH1A1 (0.49) ALDH1A1IMPDH2PCSK9SMN1; SMN2HTT
SCHEMBL17553830 0.74 PCSK9 (0.39) KDM4EPCSK9PARP1ICMTCNR1
SCHEMBL18508882 0.74 ICMT (0.45) ALDH1A1KDM4EPCSK9HTTMEN1
SCHEMBL13806312 0.73 BRD4 (0.40) ALDH1A1PCSK9MEN1KMT2ATDP1

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 20 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
US-5026722-A Antagonists of 5-hydroxytryptamine GLAXO GROUP LIMITED (GB) 1991-06-25 US disclosed
EP-0347229-A1 Indole derivatives GLAXO GROUP LIMITED (GB) 1989-12-20 EP 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 ALDH1A1 2127/4885IMPDH2 2316/4885KDM4E 2178/4885
US-20060116394-A1 Fab I inhibitors SERPINB1, TMBIM6, GDI2 ALDH1A1 4020/4885IMPDH2 2308/4885KDM4E 4668/4885
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same DBI, SERPINB1, CTSF ALDH1A1 4188/4885IMPDH2 4060/4885KDM4E 4139/4885
US-20040147580-A1 Fab I inhibitors SERPINB1, TMBIM6, GDI1 ALDH1A1 3962/4885IMPDH2 2362/4885KDM4E 4602/4885
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same DBI, SERPINB1, CTSF ALDH1A1 4188/4885IMPDH2 4060/4885KDM4E 4139/4885
US-20110098277-A1 Fab I Inhibitors SERPINB1, TMBIM6, GDI2 ALDH1A1 4020/4885IMPDH2 2308/4885KDM4E 4668/4885

“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.