SCHEMBL2276398

SCHEMBL2276398

CC1Cc2cc(Br)cnc2NC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.40
NNMT P40261 1/20 0.38
AURKA O14965 2/20 0.33
DAPK3 O43293 2/20 0.33
PRKD3 O94806 2/20 0.33
MAP4K4 O95819 2/20 0.33
ABL1 P00519 2/20 0.33
NTRK1 P04629 2/20 0.33
RET P07949 2/20 0.33
MET P08581 2/20 0.33
PDGFRB P09619 2/20 0.33
PIM1 P11309 2/20 0.33
FGFR1 P11362 2/20 0.33
PDGFRA P16234 2/20 0.33
FLT1 P17948 2/20 0.33
LTK P29376 2/20 0.33
GRK5 P34947 2/20 0.33
KDR P35968 2/20 0.33
MAP2K2 P36507 2/20 0.33
CSNK1A1 P48729 2/20 0.33

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
SCHEMBL24823955 0.86 AKR1B1 (0.42) AKR1B1NNMTAURKADAPK3PRKD3
SCHEMBL6466846 0.83 NNMT (0.39) NNMTAURKADAPK3PRKD3MAP4K4
SCHEMBL10290326 0.79 NNMT (0.37) NNMTAURKADAPK3PRKD3MAP4K4
SCHEMBL2844929 0.79 MB (0.37) AKR1B1NNMTAURKADAPK3PRKD3
SCHEMBL2849442 0.79 MB (0.37) AKR1B1NNMTAURKADAPK3PRKD3
SCHEMBL2844934 0.79 MB (0.37) AKR1B1NNMTAURKADAPK3PRKD3
SCHEMBL14050975 0.79 NNMT (0.37) NNMTAURKADAPK3PRKD3MAP4K4
SCHEMBL1769399 0.78 PNMT (0.35) AKR1B1NNMTAURKADAPK3PRKD3
SCHEMBL2672662 0.78 NNMT (0.36) AKR1B1NNMTAURKADAPK3PRKD3
SCHEMBL24722714 0.77 AKR1B1 (0.34) AKR1B1NNMTAURKADAPK3PRKD3

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 4 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20080125423-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 AKR1B1 1953/4885NNMT 3553/4885AURKA 2716/4885
US-20110190283-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 AKR1B1 1953/4885NNMT 3553/4885AURKA 2716/4885

“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.