SCHEMBL4093787

SCHEMBL4093787

CC(c1cc2ccccc2[nH]1)N(C)C(=O)/C=C/c1cnc2[nH]c(=O)cc(O)c2c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PADI4 Q9UM07 1/20 0.34
KDM4E B2RXH2 3/20 0.33
GSK3B P49841 2/20 0.33
HPGD P15428 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 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
SCHEMBL4093791 1.00 ALOX5 (0.40) ALOX5SMN1; SMN2ALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL4104168 0.90 ALOX5 (0.41) ALOX5SMN1; SMN2ALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL4097059 0.90 ALOX5 (0.41) ALOX5SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL14810598 0.83 ALOX5 (0.43) ALOX5SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL14810601 0.83 ALOX5 (0.43) ALOX5SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL14810615 0.82 ALOX5 (0.40) ALOX5SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL14810617 0.82 ALOX5 (0.40) ALOX5SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL14810229 0.82 ALOX5 (0.39) ALOX5SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL14810226 0.82 ALOX5 (0.39) ALOX5SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL1254008 0.81 ALOX5 (0.41) ALOX5SMN1; SMN2ALDH1A1KMT2AMEN1

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 claimed
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 ALOX5 2681/4885SMN1; SMN2 4069/4885ALDH1A1 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.