SCHEMBL725618

SCHEMBL725618

CN(Cc1ccc2ccccc2c1)C(=O)C=Cc1ccc(N)nc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.42
MET P08581 1/20 0.39
CYP3A4 P08684 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL725617 1.00 PLAU (0.42) PLAUMETCYP3A4MEN1NPC1
SCHEMBL726098 0.87 RAB9A (0.50) PLAUMEN1NPC1ALDH1A1RAB9A
SCHEMBL726099 0.87 RAB9A (0.50) PLAUMEN1NPC1ALDH1A1RAB9A
SCHEMBL725373 0.85 PLAU (0.41) PLAUMEN1NPC1ALDH1A1RAB9A
SCHEMBL725372 0.85 PLAU (0.41) PLAUMEN1NPC1ALDH1A1RAB9A
SCHEMBL726850 0.82 HDAC3 (0.44)
SCHEMBL726851 0.82 HDAC3 (0.44)
SCHEMBL4479873 0.82 HDAC1 (0.51) PLAUNPC1
SCHEMBL4479886 0.82 HDAC1 (0.51) PLAUNPC1
SCHEMBL2278699 0.80 NLN (0.44) MEN1KMT2A

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
US-8173646-B2 FAB I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-05-08 US disclosed
WO-2011156811-A2 COMPOUNDS FOR TREATMENT OF BOVINE MASTITIS AFFINIUM PHARMACEUTICALS, INC. (CA) 2011-12-15 WO disclosed
US-20110190283-A1 Fab I Inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2011-08-04 US 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-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
EP-1226138-B1 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2004-12-29 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 (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-20130281442-A1 Compounds for Treatment of Bovine Mastitis LPO, MPO, MMP8 PLAU 661/4885MET 3881/4885CYP3A4 3624/4885
US-20090275572-A1 FAB I INHIBITORS SERPINB1, TFPI, TFPI2 PLAU 1896/4885MET 4508/4885CYP3A4 2080/4885
US-20080125423-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 PLAU 1896/4885MET 4508/4885CYP3A4 2080/4885
US-20110190283-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 PLAU 1896/4885MET 4508/4885CYP3A4 2080/4885

“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.