SCHEMBL2280729

SCHEMBL2280729

CN(Cc1cn(C)c2ccccc12)C(=O)C=Cc1cnc(N)nc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 2/20 0.43
HPGD P15428 2/20 0.43
HDAC1 Q13547 4/20 0.43
HDAC2 Q92769 4/20 0.43
HDAC6 Q9UBN7 4/20 0.43
HDAC3 O15379 3/20 0.42
HDAC4 P56524 3/20 0.42
HDAC7 Q8WUI4 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC9 Q9UKV0 3/20 0.42
HDAC5 Q9UQL6 3/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL726225 1.00 LMNA (0.44) LMNASMN1; SMN2HTTHPGDHDAC1
SCHEMBL725021 0.90 HDAC1 (0.44) LMNASMN1; SMN2HTTHPGDHDAC1
SCHEMBL725024 0.90 HDAC1 (0.44) LMNASMN1; SMN2HTTHPGDHDAC1
SCHEMBL1093010 0.85 KDM4E (0.38)
SCHEMBL726649 0.85 KDM4E (0.38)
SCHEMBL726084 0.83 NR4A2 (0.43) LMNASMN1; SMN2HTTHPGDHDAC1
SCHEMBL726081 0.83 NR4A2 (0.43) LMNASMN1; SMN2HTTHPGDHDAC1
SCHEMBL725172 0.82 LMNA (0.46) LMNASMN1; SMN2HTTHPGDHDAC1
SCHEMBL725169 0.82 LMNA (0.46) LMNASMN1; SMN2HTTHPGDHDAC1
SCHEMBL725947 0.81 HDAC1 (0.42) LMNASMN1; SMN2HTTHPGDHDAC1

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
US-8173646-B2 FAB I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-05-08 US 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
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 (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 LMNA 3308/4885SMN1; SMN2 4421/4885HTT 4823/4885
US-20130281442-A1 Compounds for Treatment of Bovine Mastitis LPO, MPO, MMP8 LMNA 3659/4885SMN1; SMN2 4128/4885HTT 4813/4885
US-20090275572-A1 FAB I INHIBITORS SERPINB1, TFPI, TFPI2 LMNA 3308/4885SMN1; SMN2 4421/4885HTT 4823/4885
US-20080125423-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 LMNA 3308/4885SMN1; SMN2 4421/4885HTT 4823/4885
US-20110190283-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 LMNA 3308/4885SMN1; SMN2 4421/4885HTT 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.