SCHEMBL726702

SCHEMBL726702

CCC(=O)Nc1ccc(/C=C/C(=O)N(C)C(C)c2cc3ccccc3[nH]2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
HSD17B10 Q99714 2/20 0.37
GCK P35557 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
ESR1 P03372 3/20 0.36
ADORA3 P0DMS8 2/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36

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
SCHEMBL726704 1.00 ALOX5 (0.41) ALOX5HSD17B10GCKSMN1; SMN2NPC1
SCHEMBL726507 0.91 ALOX5 (0.42) ALOX5GCKHDAC3HDAC4HDAC1
SCHEMBL726509 0.91 ALOX5 (0.42) ALOX5GCKHDAC3HDAC4HDAC1
SCHEMBL1254278 0.90 ALOX5 (0.42) ALOX5GCKHDAC3HDAC4HDAC1
SCHEMBL1254276 0.90 ALOX5 (0.42) ALOX5GCKHDAC3HDAC4HDAC1
SCHEMBL726135 0.90 ALOX5 (0.39) ALOX5MAPK1
SCHEMBL726137 0.90 ALOX5 (0.39) ALOX5MAPK1
SCHEMBL725222 0.89 ALOX5 (0.41) ALOX5GCKSMN1; SMN2NPC1RAB9A
SCHEMBL725224 0.89 ALOX5 (0.41) ALOX5GCKSMN1; SMN2NPC1RAB9A
SCHEMBL725330 0.89 ALOX5 (0.43) ALOX5GCKSMN1; SMN2NPC1RAB9A

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
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
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-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
CN-1197860-C FAB I inhibitors SMITHKLINE BEECHAM CORP (CA) 2005-04-20 CN disclosed
US-6846819-B1 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2005-01-25 US disclosed
CN-1378542-A Antigen binding fragment I inhibitors SMITHKLINE BEECHAM CORP (US) 2002-11-06 CN 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-20050250810-A1 FAB I inhibitors SERPINB1, TFPI, TFPI2 ALOX5 2861/4885HSD17B10 917/4885GCK 3769/4885
US-20130281442-A1 Compounds for Treatment of Bovine Mastitis LPO, MPO, MMP8 ALOX5 346/4885HSD17B10 291/4885GCK 1475/4885
US-20090275572-A1 FAB I INHIBITORS SERPINB1, TFPI, TFPI2 ALOX5 2861/4885HSD17B10 917/4885GCK 3769/4885
US-20080125423-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 ALOX5 2861/4885HSD17B10 917/4885GCK 3769/4885
US-20110190283-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 ALOX5 2861/4885HSD17B10 917/4885GCK 3769/4885

“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.