SCHEMBL725921

SCHEMBL725921

Cc1ccc2c(CN(C)C(=O)/C=C/c3ccc(N)nc3)cn(C)c2c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
CDK2 P24941 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33

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
SCHEMBL725924 1.00 POLB (0.38) POLBLMNAHTTMAPTHPGD
SCHEMBL727240 0.92 POLB (0.40) POLBLMNAHTTMAPTHPGD
SCHEMBL727237 0.92 POLB (0.40) POLBLMNAHTTMAPTHPGD
SCHEMBL727050 0.90 LMNA (0.37) POLBLMNAMAPTHDAC1HDAC2
SCHEMBL727053 0.90 LMNA (0.37) POLBLMNAMAPTHDAC1HDAC2
SCHEMBL725847 0.90 POLB (0.36) POLBHTTMAPTHPGDHDAC1
SCHEMBL725844 0.90 POLB (0.36) POLBHTTMAPTHPGDHDAC1
SCHEMBL725021 0.87 HDAC1 (0.44) LMNAHTTMAPTHPGDHDAC1
SCHEMBL725024 0.87 HDAC1 (0.44) LMNAHTTMAPTHPGDHDAC1
SCHEMBL725238 0.86 KDR (0.36) POLBHDAC1HDAC2HDAC6

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-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-6846819-B1 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2005-01-25 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 POLB 2413/4885LMNA 3659/4885HTT 4813/4885
US-20090275572-A1 FAB I INHIBITORS SERPINB1, TFPI, TFPI2 POLB 568/4885LMNA 3308/4885HTT 4823/4885
US-20080125423-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 POLB 568/4885LMNA 3308/4885HTT 4823/4885
US-20110190283-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 POLB 568/4885LMNA 3308/4885HTT 4823/4885

“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.