SCHEMBL2274145

SCHEMBL2274145

CC(c1cc2ccccc2[nH]1)N(C)C(=O)/C=C/c1cnc2c(c1)OCCN2

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
GRM5 P41594 2/20 0.37
MAP4K1 Q92918 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
IMPDH2 P12268 1/20 0.36

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
SCHEMBL2274152 1.00 ALOX5 (0.39) ALOX5GRM5MAP4K1MEN1NPC1
SCHEMBL2272864 0.87 ALOX5 (0.40) ALOX5MEN1NPC1ALDH1A1RAB9A
SCHEMBL2272858 0.87 ALOX5 (0.40) ALOX5MEN1NPC1ALDH1A1RAB9A
SCHEMBL2837846 0.86 ALOX5 (0.38) ALOX5MEN1NPC1ALDH1A1RAB9A
SCHEMBL726726 0.86 ALOX5 (0.39) ALOX5MEN1NPC1ALDH1A1RAB9A
SCHEMBL726658 0.83 IMPDH2 (0.38) GRM5IMPDH2
SCHEMBL1254826 0.81 ALOX5 (0.39) ALOX5MEN1NPC1ALDH1A1RAB9A
SCHEMBL1254829 0.81 ALOX5 (0.39) ALOX5MEN1NPC1ALDH1A1RAB9A
SCHEMBL19118662 0.81 ALOX5 (0.38) ALOX5
SCHEMBL726943 0.80 ALOX5 (0.39) ALOX5

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 12 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
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 ALOX5 2861/4885GRM5 4738/4885MAP4K1 2506/4885
US-20130281442-A1 Compounds for Treatment of Bovine Mastitis LPO, MPO, MMP8 ALOX5 346/4885GRM5 1310/4885MAP4K1 2902/4885
US-20090275572-A1 FAB I INHIBITORS SERPINB1, TFPI, TFPI2 ALOX5 2861/4885GRM5 4738/4885MAP4K1 2506/4885
US-20080125423-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 ALOX5 2861/4885GRM5 4738/4885MAP4K1 2506/4885
US-20110190283-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 ALOX5 2861/4885GRM5 4738/4885MAP4K1 2506/4885

“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.