SCHEMBL2277162

SCHEMBL2277162

CNC(=O)c1cc2cc(F)ccc2n1C

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.69
ALDH1A1 P00352 1/20 0.69
HPGD P15428 1/20 0.69
HSD17B10 Q99714 1/20 0.69
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
LMNA P02545 5/20 0.59
TP53 P04637 2/20 0.55
POLB P06746 1/20 0.55
IDO1 P14902 1/20 0.50
THRB P10828 1/20 0.50
RXFP1 Q9HBX9 2/20 0.49
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
MCL1 Q07820 1/20 0.45
GALR3 O60755 1/20 0.45
GAA P10253 1/20 0.45
PTGDR2 Q9Y5Y4 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
SCHEMBL986506 0.82 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL2732524 0.82 KDM4E (0.76) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL12649635 0.81 THRB (0.50) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL20559065 0.81 L3MBTL1 (0.70) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL1253301 0.81 RXFP1 (0.72) MEN1KMT2ATHRBRXFP1
SCHEMBL4744999 0.81 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL3058667 0.81 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL8687228 0.80 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL9514737 0.79 L3MBTL1 (0.76) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL1093913 0.79 MCL1 (0.67) MEN1KMT2ALMNAHDAC1MCL1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US claimed
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 4583/4885ALDH1A1 2491/4885HPGD 1271/4885
US-20090275572-A1 FAB I INHIBITORS SERPINB1, TFPI, TFPI2 KDM4E 4583/4885ALDH1A1 2491/4885HPGD 1271/4885
US-20080125423-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 KDM4E 4583/4885ALDH1A1 2491/4885HPGD 1271/4885
US-20110190283-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 KDM4E 4583/4885ALDH1A1 2491/4885HPGD 1271/4885

“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.