SCHEMBL726426

SCHEMBL726426

Cc1[nH]c2ccccc2c1CN(C)C(=O)C=Cc1ccc(N)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
CYP3A4 P08684 1/20 0.47
HDAC1 Q13547 11/20 0.45
HDAC3 O15379 8/20 0.45
HDAC2 Q92769 8/20 0.45
HDAC4 P56524 7/20 0.45
HDAC8 Q9BY41 7/20 0.45
HDAC7 Q8WUI4 6/20 0.44
HDAC10 Q969S8 6/20 0.44
HDAC11 Q96DB2 6/20 0.44
HDAC6 Q9UBN7 6/20 0.44
HDAC9 Q9UKV0 6/20 0.44
HDAC5 Q9UQL6 6/20 0.44
KCNH2 Q12809 1/20 0.43
TET3 O43151 1/20 0.43
BRD4 O60885 1/20 0.43
FOXO1 Q12778 1/20 0.43
TET2 Q6N021 1/20 0.43
PIK3C3 Q8NEB9 1/20 0.43
TET1 Q8NFU7 1/20 0.43

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
SCHEMBL726425 1.00 MAPT (0.47) MAPTCYP3A4HDAC1HDAC3HDAC2
SCHEMBL726717 0.90 MAPT (0.49) MAPTCYP3A4HDAC1HDAC3HDAC2
SCHEMBL726718 0.90 MAPT (0.49) MAPTCYP3A4HDAC1HDAC3HDAC2
SCHEMBL7015944 0.86 PADI4 (0.41)
SCHEMBL726932 0.83 HDAC1 (0.43) MAPTCYP3A4HDAC1HDAC3HDAC2
SCHEMBL726931 0.83 HDAC1 (0.43) MAPTCYP3A4HDAC1HDAC3HDAC2
SCHEMBL726442 0.81 HDAC1 (0.42) MAPTCYP3A4HDAC1HDAC3HDAC2
SCHEMBL725909 0.81 HDAC1 (0.42) MAPTCYP3A4HDAC1HDAC3HDAC2
SCHEMBL726441 0.81 HDAC1 (0.42) MAPTCYP3A4HDAC1HDAC3HDAC2
SCHEMBL725908 0.81 HDAC1 (0.42) MAPTCYP3A4HDAC1HDAC3HDAC2

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 12 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-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 MAPT 2755/4885CYP3A4 3624/4885HDAC1 488/4885
US-20090275572-A1 FAB I INHIBITORS SERPINB1, TFPI, TFPI2 MAPT 3629/4885CYP3A4 2080/4885HDAC1 87/4885
US-20080125423-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 MAPT 3629/4885CYP3A4 2080/4885HDAC1 87/4885
US-20110190283-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 MAPT 3629/4885CYP3A4 2080/4885HDAC1 87/4885

“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.