SCHEMBL726182

SCHEMBL726182

CC(c1cc2c(Cl)cc(Cl)cc2[nH]1)N(C)C(=O)C=Cc1ccc(N)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 6/20 0.35
GRIN1 Q05586 1/20 0.33
EPHX2 P34913 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
KDR P35968 2/20 0.30
AURKA O14965 1/20 0.30
ABL1 P00519 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 1/20 0.30
YES1 P07947 1/20 0.30
FGFR2 P21802 1/20 0.30
EPHA2 P29317 1/20 0.30
LTK P29376 1/20 0.30
AXL P30530 1/20 0.30
FLT3 P36888 1/20 0.30
MST1R Q04912 1/20 0.30
PTK6 Q13882 1/20 0.30
PLAU P00749 1/20 0.30
GAA P10253 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
SCHEMBL726181 1.00 MET (0.35) METGRIN1EPHX2BCHEACHE
SCHEMBL724961 0.82 PADI4 (0.35) METBCHEACHEABL1
SCHEMBL724960 0.82 PADI4 (0.35) METBCHEACHEABL1
SCHEMBL725952 0.81 ALOX5 (0.47) MAPT
SCHEMBL725953 0.81 ALOX5 (0.47) MAPT
SCHEMBL724969 0.80 BCHE (0.41) METBCHEACHE
SCHEMBL724968 0.80 BCHE (0.41) METBCHEACHE
SCHEMBL725641 0.79 KCNA6 (0.38) FLT3GAAMAPT
SCHEMBL725642 0.79 KCNA6 (0.38) FLT3GAAMAPT
SCHEMBL725845 0.78 TDO2 (0.35) METBCHEACHE

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 MET 3881/4885GRIN1 2155/4885EPHX2 2531/4885
US-20060116394-A1 Fab I inhibitors SERPINB1, TMBIM6, GDI2 MET 4695/4885GRIN1 3414/4885EPHX2 4771/4885
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same DBI, SERPINB1, CTSF MET 4605/4885GRIN1 4191/4885EPHX2 2857/4885
US-20040147580-A1 Fab I inhibitors SERPINB1, TMBIM6, GDI1 MET 4746/4885GRIN1 3417/4885EPHX2 4762/4885
US-20110098277-A1 Fab I Inhibitors SERPINB1, TMBIM6, GDI2 MET 4695/4885GRIN1 3414/4885EPHX2 4771/4885

“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.