SCHEMBL4093785

SCHEMBL4093785

CC(=O)Oc1cc(Br)cnc1N(C(C)=O)C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.39
KDM4E B2RXH2 6/20 0.33
ALDH1A1 P00352 5/20 0.33
TSHR P16473 4/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 3/20 0.33
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
TNFSF11 O14788 1/20 0.33
ESR1 P03372 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
HMGB1 P09429 1/20 0.33
GGT1 P19440 1/20 0.33
BLM P54132 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL13800069 0.77 CFD (0.42) CFDKDM4EALDH1A1TSHRHPGD
SCHEMBL27752522 0.76 KMT2A (0.46) CFDKDM4EALDH1A1TSHRHPGD
SCHEMBL12985694 0.75 CYP3A4 (0.35) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL15261614 0.71 ALDH1A1 (0.32) KDM4EALDH1A1TSHRHPGDHSD17B10
SCHEMBL13199693 0.68 AAK1 (0.39) ALDH1A1GAARAB9AMEN1KMT2A
SCHEMBL29833741 0.68 AAK1 (0.39) ALDH1A1GAARAB9AMEN1KMT2A
SCHEMBL27751424 0.67 AAK1 (0.42) CFDKDM4EALDH1A1HPGDRAB9A
SCHEMBL28761614 0.67 DYRK1A (0.44) CFDTSHRHTT
SCHEMBL27080876 0.66 ALDH1A1 (0.36) CFDKDM4EALDH1A1TSHRHPGD
SCHEMBL5733250 0.66 ALDH1A1 (0.38) KDM4EALDH1A1HSD17B10RAB9ASMN1; SMN2

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-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 US disclosed
US-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 US disclosed
CN-101415701-A Heterocyclylacrylamide compounds as FABI inhibitors and antibacterial agents AFFINIUM PHARM INC (CA) 2009-04-22 CN disclosed
WO-2007067416-A2 HETEROCYCLYLACRYLAMIDE COMPOUNDS AS FABI INHIBITORS AND ANTIBACTERIAL AGENTS AFFINIUM PHARMACEUTICALS, INC. (CA) 2007-06-14 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 (1 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-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents GAA, TFPI, DBI CFD 1209/4885KDM4E 3209/4885ALDH1A1 2669/4885

“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.