SCHEMBL726855

SCHEMBL726855

COc1ccc2cc(C(C)N(C)C(=O)C=Cc3ccc(N)nc3)[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
MET P08581 3/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP1B1 Q16678 1/20 0.36
TRPM8 Q7Z2W7 3/20 0.35
PADI4 Q9UM07 1/20 0.35
ALOX5 P09917 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 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
SCHEMBL726854 1.00 FLT3 (0.39) FLT3MEN1KMT2ARXFP1KDM4E
SCHEMBL725953 0.86 ALOX5 (0.47) MEN1KMT2AMAPTCYP1A2CYP2D6
SCHEMBL725952 0.86 ALOX5 (0.47) MEN1KMT2AMAPTCYP1A2CYP2D6
SCHEMBL725642 0.81 KCNA6 (0.38) FLT3KDM4EHSD17B10MAPTPADI4
SCHEMBL725641 0.81 KCNA6 (0.38) FLT3KDM4EHSD17B10MAPTPADI4
SCHEMBL724969 0.81 BCHE (0.41) MEN1KMT2AMETMTNR1AMTNR1B
SCHEMBL724968 0.81 BCHE (0.41) MEN1KMT2AMETMTNR1AMTNR1B
SCHEMBL726415 0.79 HTR2A (0.45) MEN1KMT2AKDM4EMAPTTP53
SCHEMBL726414 0.79 HTR2A (0.45) MEN1KMT2AKDM4EMAPTTP53
SCHEMBL724961 0.78 PADI4 (0.35) METPADI4ALOX5

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-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

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 FLT3 1654/4885MEN1 3468/4885KMT2A 4427/4885
US-20130281442-A1 Compounds for Treatment of Bovine Mastitis LPO, MPO, MMP8 FLT3 3900/4885MEN1 4711/4885KMT2A 3066/4885
US-20080125423-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 FLT3 1654/4885MEN1 3468/4885KMT2A 4427/4885
US-20110190283-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 FLT3 1654/4885MEN1 3468/4885KMT2A 4427/4885

“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.