SCHEMBL726460

SCHEMBL726460

Cc1[nH]c2ccccc2c1C(C)N(C)C(=O)/C=C/c1cnc(N)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
PADI4 Q9UM07 2/20 0.40
JAK2 O60674 1/20 0.39
PAX8 Q06710 1/20 0.39
HDAC3 O15379 5/20 0.37
HDAC4 P56524 5/20 0.37
HDAC1 Q13547 5/20 0.37
HDAC2 Q92769 5/20 0.37
HDAC8 Q9BY41 5/20 0.37

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
SCHEMBL726461 1.00 MAPT (0.41) MAPTMEN1KMT2ALMNANPC1
SCHEMBL726490 0.90 PADI4 (0.39) MAPTMEN1KMT2ALMNANPC1
SCHEMBL726489 0.90 PADI4 (0.39) MAPTMEN1KMT2ALMNANPC1
SCHEMBL726226 0.80 HDAC3 (0.42) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL726224 0.80 HDAC3 (0.42) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL727162 0.79
SCHEMBL727163 0.79
SCHEMBL726893 0.79 PADI4 (0.37) MAPTMEN1KMT2ALMNANPC1
SCHEMBL726894 0.79 PADI4 (0.37) MAPTMEN1KMT2ALMNANPC1
SCHEMBL726717 0.79 MAPT (0.49) MAPTMEN1KMT2ALMNANPC1

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 13 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

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 MAPT 3629/4885MEN1 3468/4885KMT2A 4427/4885
US-20130281442-A1 Compounds for Treatment of Bovine Mastitis LPO, MPO, MMP8 MAPT 2755/4885MEN1 4711/4885KMT2A 3066/4885
US-20090275572-A1 FAB I INHIBITORS SERPINB1, TFPI, TFPI2 MAPT 3629/4885MEN1 3468/4885KMT2A 4427/4885
US-20080125423-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 MAPT 3629/4885MEN1 3468/4885KMT2A 4427/4885
US-20110190283-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 MAPT 3629/4885MEN1 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.