SCHEMBL2276515

SCHEMBL2276515

Cn1c(C(=O)NC2CC2)cc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.61
HSD17B10 Q99714 5/20 0.60
KDM4E B2RXH2 5/20 0.60
TSHR P16473 2/20 0.60
CREBBP Q92793 1/20 0.60
MCL1 Q07820 1/20 0.58
CNR2 P34972 1/20 0.56
ALDH1A1 P00352 3/20 0.55
HPGD P15428 2/20 0.55
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52

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
SCHEMBL19701326 0.93 CHRNA7 (0.56) CHRNA7HSD17B10KDM4ETSHRCREBBP
SCHEMBL21489902 0.93 CHRNA7 (0.56) CHRNA7HSD17B10KDM4ETSHRCREBBP
SCHEMBL19701325 0.89 SMYD3 (0.53) CHRNA7HSD17B10KDM4ETSHRCREBBP
SCHEMBL21489788 0.89 SMYD3 (0.53) CHRNA7HSD17B10KDM4ETSHRCREBBP
SCHEMBL3598401 0.86 CHRNA7 (0.54) CHRNA7HSD17B10KDM4ETSHRCREBBP
SCHEMBL3598403 0.86 CHRNA7 (0.54) CHRNA7HSD17B10KDM4ETSHRCREBBP
SCHEMBL4153134 0.81 CHRNA7 (0.52) CHRNA7HSD17B10KDM4EMCL1CNR2
SCHEMBL8248425 0.80 CHRNA7 (0.54) CHRNA7HSD17B10KDM4EMCL1CNR2
SCHEMBL5258047 0.80 CHRNA7 (0.54) CHRNA7HSD17B10KDM4EMCL1CNR2
SCHEMBL6750613 0.80 CHRNA7 (0.54) CHRNA7HSD17B10KDM4EMCL1CNR2

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 15 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
CN-1197860-C FAB I inhibitors SMITHKLINE BEECHAM CORP (CA) 2005-04-20 CN 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
CN-1378542-A Antigen binding fragment I inhibitors SMITHKLINE BEECHAM CORP (US) 2002-11-06 CN 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 CHRNA7 4650/4885HSD17B10 917/4885KDM4E 4583/4885
US-20090275572-A1 FAB I INHIBITORS SERPINB1, TFPI, TFPI2 CHRNA7 4650/4885HSD17B10 917/4885KDM4E 4583/4885
US-20080125423-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 CHRNA7 4650/4885HSD17B10 917/4885KDM4E 4583/4885
US-20110190283-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 CHRNA7 4650/4885HSD17B10 917/4885KDM4E 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.