SCHEMBL2275127

SCHEMBL2275127

CNC(=O)c1cc2c(C)cccc2n1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.59
HSD17B10 Q99714 3/20 0.52
LMNA P02545 1/20 0.46
EGFR P00533 2/20 0.46
SRC P12931 1/20 0.46
RXFP1 Q9HBX9 3/20 0.43
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MCL1 Q07820 1/20 0.41
THRB P10828 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
CREBBP Q92793 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.40
FTO Q9C0B1 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL2662183 0.83 SLC9A1 (0.48) SLC9A1HSD17B10EGFRSRCALDH1A1
SCHEMBL2276306 0.82 SLC9A1 (0.64) SLC9A1HSD17B10EGFRALDH1A1MCL1
SCHEMBL7877970 0.81 SLC9A1 (0.59) SLC9A1HSD17B10LMNAEGFRSRC
SCHEMBL2272984 0.81 KDM4E (0.51) HSD17B10LMNAEGFRSRCRXFP1
SCHEMBL29581946 0.79 MCL1 (0.67) SLC9A1LMNAMCL1MEN1NPC1
SCHEMBL1093913 0.79 MCL1 (0.67) SLC9A1LMNAMCL1MEN1NPC1
SCHEMBL19347315 0.74 PHGDH (0.59) HSD17B10RXFP1PHGDH
SCHEMBL19341953 0.72 SLC9A1 (0.52) SLC9A1LMNARXFP1MCL1KDM4E
SCHEMBL13548554 0.70 ALKBH5 (0.52) SLC9A1HSD17B10ALDH1A1KDM4EMEN1
SCHEMBL8260 0.69 DAO (0.59) SLC9A1HSD17B10ALDH1A1MCL1KDM4E

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 SLC9A1 2712/4885HSD17B10 917/4885LMNA 3308/4885
US-20090275572-A1 FAB I INHIBITORS SERPINB1, TFPI, TFPI2 SLC9A1 2712/4885HSD17B10 917/4885LMNA 3308/4885
US-20080125423-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 SLC9A1 2712/4885HSD17B10 917/4885LMNA 3308/4885
US-20110190283-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 SLC9A1 2712/4885HSD17B10 917/4885LMNA 3308/4885

“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.