SCHEMBL3555324

SCHEMBL3555324

COC(=O)c1ccc2c(n1)C(=O)C=CC2=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.51
PTPRC P08575 2/20 0.45
MAPK1 P28482 2/20 0.41
SETD7 Q8WTS6 2/20 0.38
CYP1A2 P05177 2/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
RECQL P46063 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CDC25B P30305 1/20 0.37
PTGER4 P35408 1/20 0.37
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAOA P21397 1/20 0.35

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
SCHEMBL2830890 0.72 ALDH1A1 (0.53) MAPTSMN1; SMN2KDM4E
SCHEMBL6412872 0.72 S100A4 (0.58) S100A4PTPRCCYP1A2MAPTCDC25B
SCHEMBL19835545 0.70 SLC6A3 (0.51) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2599222 0.69 S100A4 (1.00) S100A4MAPK1CYP1A2TP53CYP2C9
SCHEMBL4995737 0.69 MAPK1 (0.50) MAPK1CYP1A2MAPTGAARECQL
SCHEMBL23530100 0.68 MKNK2 (0.39) MAPK1CYP1A2MAPTGAARECQL
SCHEMBL30791992 0.68 MKNK2 (0.39) MAPK1CYP1A2MAPTGAARECQL
SCHEMBL69653 0.68 MAPT (0.64) CYP1A2MAPTGAARECQLNPC1
SCHEMBL1456298 0.67 MAPK1 (0.57) MAPK1MAPTTP53KDM4EL3MBTL1
SCHEMBL29442775 0.67 MAPK1 (0.57) MAPK1MAPTTP53KDM4EL3MBTL1

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-7807668-B2 Anti-inflammatory compounds NEW ZEALAND INSTITUTE FOR CROP & FOOD RESEARCH LIMITED (NZ) 2010-10-05 US disclosed
US-20070265253-A1 Anti-Inflammatory Compounds NEW ZEALAND INSTITUTE FOR CROP & FOOD RESEARCH LIMITED (NZ) 2007-11-15 US disclosed
EP-1789422-A1 ANTI-INFLAMMATORY COMPOUNDS NEW ZEALAND INSTITUTE FOR CROP & FOOD RESEARCH LIMITED (NZ) 2007-05-30 EP disclosed
WO-2006031134-A1 ANTI-INFLAMMATORY COMPOUNDS NEW ZEALAND INSTITUTE FOR CROP & FOOD RESEARCH LIMITED (NZ) 2006-03-23 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-20070265253-A1 Anti-Inflammatory Compounds TNF, PTGS1, PTGES S100A4 64/4885PTPRC 3605/4885MAPK1 784/4885

“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.