SCHEMBL2277189

SCHEMBL2277189

CNC(=O)c1cc2ccc(OC)cc2n1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 4/20 0.55
HPGD P15428 4/20 0.55
HSD17B10 Q99714 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MTNR1A P48039 4/20 0.52
MTNR1B P49286 3/20 0.52
MAPT P10636 3/20 0.50
CA2 P00918 1/20 0.50
TP53 P04637 2/20 0.48
POLB P06746 1/20 0.47
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
HPGDS O60760 1/20 0.47
PLK1 P53350 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.44

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
SCHEMBL9514737 0.88 L3MBTL1 (0.76) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2272634 0.85 L3MBTL1 (0.80) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1144942 0.83 KDM4E (0.77) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL17324790 0.83 KDM4E (0.59) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL19997208 0.79 L3MBTL1 (0.55) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL17321407 0.79 L3MBTL1 (0.55) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2241069 0.79 MTNR1A (0.62) ALDH1A1KDM4EHPGDHSD17B10MTNR1A
SCHEMBL7877454 0.77 L3MBTL1 (0.59) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1093913 0.76 MCL1 (0.67) MAPTLMNA
SCHEMBL29581946 0.76 MCL1 (0.67) MAPTLMNA

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-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
EP-1226138-A4 FAB I INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP disclosed
EP-1226138-A1 FAB I INHIBITORS SmithKline Beecham Corporation (US) 2002-07-31 EP disclosed
WO-2001027103-A1 FAB I INHIBITORS SMITHKLINE BEECHAM CORPORATION (GB) 2001-04-19 WO 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 L3MBTL1 2519/4885ALDH1A1 2491/4885KDM4E 4583/4885
US-20090275572-A1 FAB I INHIBITORS SERPINB1, TFPI, TFPI2 L3MBTL1 2519/4885ALDH1A1 2491/4885KDM4E 4583/4885
US-20080125423-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 L3MBTL1 2519/4885ALDH1A1 2491/4885KDM4E 4583/4885
US-20110190283-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 L3MBTL1 2519/4885ALDH1A1 2491/4885KDM4E 4583/4885

“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.