SCHEMBL724968

SCHEMBL724968

COc1cccc2[nH]c(C(C)N(C)C(=O)/C=C/c3ccc(N)nc3)cc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
MET P08581 4/20 0.39
IDO1 P14902 1/20 0.38
POLB P06746 1/20 0.37
DUSP3 P51452 1/20 0.37
PTPN5 P54829 1/20 0.37
PTPN11 Q06124 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
MTNR1A P48039 3/20 0.37
MTNR1B P49286 3/20 0.37
APP P05067 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RCE1 Q9Y256 1/20 0.36
SYK P43405 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
SCHEMBL724969 1.00 BCHE (0.41) BCHEACHEMETIDO1POLB
SCHEMBL724960 0.88 PADI4 (0.35) BCHEACHEMET
SCHEMBL724961 0.88 PADI4 (0.35) BCHEACHEMET
SCHEMBL725952 0.83 ALOX5 (0.47) MEN1KMT2A
SCHEMBL725953 0.83 ALOX5 (0.47) MEN1KMT2A
SCHEMBL726854 0.81 FLT3 (0.39) METMTNR1AMTNR1BAPPMEN1
SCHEMBL726855 0.81 FLT3 (0.39) METMTNR1AMTNR1BAPPMEN1
SCHEMBL726050 0.80 MET (0.37) BCHEACHEMETMTNR1AMTNR1B
SCHEMBL726051 0.80 MET (0.37) BCHEACHEMETMTNR1AMTNR1B
SCHEMBL726181 0.80 MET (0.35) BCHEACHEMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4803935-B2 2011-10-26 JP claimed
US-6846819-B1 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2005-01-25 US claimed
EP-1226138-B1 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2004-12-29 EP claimed
EP-1226138-A4 FAB I INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP claimed
EP-1226138-A1 FAB I INHIBITORS SmithKline Beecham Corporation (US) 2002-07-31 EP claimed
WO-2001027103-A1 FAB I INHIBITORS SMITHKLINE BEECHAM CORPORATION (GB) 2001-04-19 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
WO-2011156811-A2 COMPOUNDS FOR TREATMENT OF BOVINE MASTITIS AFFINIUM PHARMACEUTICALS, INC. (CA) 2011-12-15 WO disclosed
US-7790716-B2 fatty acid biosynthesis inhibitors such as E)-3-(6-aminopyridin-3-yl)-N-methyl-N-(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)acrylamide, used fro the treatment of bacterial infections; antibiotics AFFINIUM PHARMACEUTICALS, INC. (CA) 2010-09-07 US disclosed
US-20090275572-A1 FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-7557125-B2 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2009-07-07 US disclosed
US-7524843-B2 N-methyl-N-(1-methyl-1H-indol-3-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide as an enzyme inhibitor for both Fab I and Fab K which are used in the biosynthesis of fatty acids; enoyl-acyl-carrier protein renamed Fab 1; bactericides; fungicides; Staphylococcus aureus; antibiotics AFFINIUM PHARMACEUTICALS, INC. (CA) 2009-04-28 US disclosed
US-20080125423-A1 Fab I Inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2008-05-29 US disclosed
US-20050250810-A1 FAB I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2005-11-10 US disclosed
US-6846819-B1 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2005-01-25 US 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 (4 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-20050250810-A1 FAB I inhibitors SERPINB1, TFPI, TFPI2 BCHE 2278/4885ACHE 3340/4885MET 4508/4885
US-20130281442-A1 Compounds for Treatment of Bovine Mastitis LPO, MPO, MMP8 BCHE 86/4885ACHE 354/4885MET 3881/4885
US-20090275572-A1 FAB I INHIBITORS SERPINB1, TFPI, TFPI2 BCHE 2278/4885ACHE 3340/4885MET 4508/4885
US-20080125423-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 BCHE 2278/4885ACHE 3340/4885MET 4508/4885

“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.