SCHEMBL4094465

SCHEMBL4094465

CCc1c(O)c2cc(/C=C/C(=O)O)cnc2[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.42
RAB9A P51151 1/20 0.39
PADI4 Q9UM07 7/20 0.38
PTGS2 P35354 2/20 0.36
PKM P14618 1/20 0.36
PTGS1 P23219 1/20 0.36
P4HTM Q9NXG6 1/20 0.36
AKR1B10 O60218 1/20 0.36
MMP2 P08253 1/20 0.36
AKR1B1 P15121 1/20 0.36
AKR1C3 P42330 1/20 0.36
PAK1 Q13153 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MITF O75030 1/20 0.34
HPGD P15428 1/20 0.34
KLF5 Q13887 1/20 0.34
GSK3B P49841 2/20 0.33
ADORA3 P0DMS8 1/20 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
SCHEMBL4094472 1.00 KDM5A (0.42) KDM5ARAB9APADI4PTGS2PKM
SCHEMBL4098464 0.82 RAB9A (0.38) RAB9APADI4PTGS2PKMPTGS1
SCHEMBL4098459 0.82 RAB9A (0.38) RAB9APADI4PTGS2PKMPTGS1
SCHEMBL1253198 0.77 RAB9A (0.43) RAB9APADI4P4HTMKDM4EALDH1A1
SCHEMBL1253199 0.77 RAB9A (0.43) RAB9APADI4P4HTMKDM4EALDH1A1
SCHEMBL4104703 0.76 RAB9A (0.43) KDM5ARAB9APADI4PTGS2PKM
SCHEMBL4104700 0.76 RAB9A (0.43) KDM5ARAB9APADI4PTGS2PKM
SCHEMBL4102790 0.73
SCHEMBL12648999 0.68 PRKD3 (0.49) RAB9AP4HTMGSK3B
SCHEMBL10258406 0.68 KDM4E (0.38) PADI4PTGS1KDM4EALDH1A1SMN1; 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 5 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
US-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 US disclosed
EP-1973902-A2 3-HETEROCYCLYLACRYLAMIDE COMPOUNDS AS FABI INHIBITORS AND ANTIBACTERIAL AGENTS Affinium Pharmaceuticals, Inc. (CA) 2008-10-01 EP 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 KDM5A 3325/4885RAB9A 3088/4885PADI4 441/4885

“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.