SCHEMBL725236

SCHEMBL725236

COC(=O)c1ccc2c(C(C)N(C)C(=O)/C=C/c3ccc(N)nc3)c[nH]c2c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
EIF2AK2 P19525 2/20 0.39
ASH1L Q9NR48 1/20 0.36
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
DYRK1A Q13627 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
MET P08581 3/20 0.33
PARP1 P09874 1/20 0.33
CSNK2A1 P68400 1/20 0.33
KIF11 P52732 1/20 0.33
PDGFRB P09619 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GPR183 P32249 1/20 0.32
GCK P35557 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
IMPDH2 P12268 1/20 0.32

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
SCHEMBL725237 1.00 NPC1 (0.40) NPC1EIF2AK2ASH1LHTR7HTR6
SCHEMBL725922 0.87 TDO2 (0.34) METALDH1A1GPR183KMT2A
SCHEMBL725923 0.87 TDO2 (0.34) METALDH1A1GPR183KMT2A
SCHEMBL725846 0.86 TDO2 (0.35) DYRK1AGPR84MET
SCHEMBL727052 0.86 TDO2 (0.47)
SCHEMBL727051 0.86 TDO2 (0.47)
SCHEMBL725845 0.86 TDO2 (0.35) DYRK1AGPR84MET
SCHEMBL725023 0.84 HDAC3 (0.43) NPC1HTR7HTR6GPR84ALDH1A1
SCHEMBL725022 0.84 HDAC3 (0.43) NPC1HTR7HTR6GPR84ALDH1A1
SCHEMBL726414 0.82 HTR2A (0.45) NPC1ALDH1A1KMT2A

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 26 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
EP-1560584-A4 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2005-10-12 EP claimed
EP-1560584-A2 FAB I INHIBITORS Affinium Pharmaceuticals, Inc. (CA) 2005-08-10 EP claimed
US-20040147580-A1 Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2004-07-29 US claimed
WO-2003088897-A2 FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2003-10-30 WO 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-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 (5 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-20130281442-A1 Compounds for Treatment of Bovine Mastitis LPO, MPO, MMP8 NPC1 2380/4885EIF2AK2 1619/4885ASH1L 4121/4885
US-20060116394-A1 Fab I inhibitors SERPINB1, TMBIM6, GDI2 NPC1 452/4885EIF2AK2 834/4885ASH1L 4396/4885
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same DBI, SERPINB1, CTSF NPC1 317/4885EIF2AK2 1749/4885ASH1L 4039/4885
US-20040147580-A1 Fab I inhibitors SERPINB1, TMBIM6, GDI1 NPC1 555/4885EIF2AK2 1040/4885ASH1L 4304/4885
US-20110098277-A1 Fab I Inhibitors SERPINB1, TMBIM6, GDI2 NPC1 452/4885EIF2AK2 834/4885ASH1L 4396/4885

“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.