SCHEMBL2272984

SCHEMBL2272984

CNC(=O)c1cc2c(OC)cccc2n1C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
TSHR P16473 2/20 0.48
HSD17B10 Q99714 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 2/20 0.46
MAPT P10636 1/20 0.46
ESR1 P03372 1/20 0.46
GLA P06280 1/20 0.46
PLK1 P53350 1/20 0.46
CCR2 P41597 1/20 0.44
TP53 P04637 2/20 0.43
EGFR P00533 2/20 0.43
SRC P12931 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGDS O60760 1/20 0.42

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
SCHEMBL2276664 0.85 L3MBTL1 (0.52) KDM4ETSHRHSD17B10ALDH1A1HPGD
SCHEMBL2326863 0.84 CCR2 (0.55) KDM4ETSHRHSD17B10ALDH1A1HPGD
SCHEMBL2322049 0.82 SLC9A1 (0.48) KDM4ETSHRHSD17B10ALDH1A1HPGD
SCHEMBL2321812 0.82 CCR2 (0.48) KDM4ETSHRHSD17B10ALDH1A1HPGD
SCHEMBL2275127 0.81 SLC9A1 (0.59) KDM4ETSHRHSD17B10ALDH1A1LMNA
SCHEMBL7097677 0.78 HPGD (0.52) KDM4ETSHRHSD17B10ALDH1A1HPGD
SCHEMBL7881078 0.78 KMT2A (0.50) KDM4ETSHRHSD17B10ALDH1A1LMNA
SCHEMBL26323291 0.75 MAPT (0.40) KDM4ETSHRHSD17B10ALDH1A1HPGD
SCHEMBL8299631 0.72 MTNR1A (0.59) KDM4ETSHRHSD17B10ALDH1A1HPGD
SCHEMBL1093913 0.72 MCL1 (0.67) LMNAMAPTKMT2A

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 KDM4E 4583/4885TSHR 3254/4885HSD17B10 917/4885
US-20090275572-A1 FAB I INHIBITORS SERPINB1, TFPI, TFPI2 KDM4E 4583/4885TSHR 3254/4885HSD17B10 917/4885
US-20080125423-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 KDM4E 4583/4885TSHR 3254/4885HSD17B10 917/4885
US-20110190283-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 KDM4E 4583/4885TSHR 3254/4885HSD17B10 917/4885

“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.