SCHEMBL1504529

SCHEMBL1504529

COC(=O)c1ccc(=O)n(-c2c(F)cccc2F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 3/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 3/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NFKB1 P19838 1/20 0.42
HTT P42858 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
HSD17B10 Q99714 1/20 0.40
IDH1 O75874 1/20 0.40
TSHR P16473 1/20 0.40
MAPK14 Q16539 2/20 0.39
MEN1 O00255 1/20 0.39
JAK1 P23458 1/20 0.39

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
SCHEMBL1504800 0.91 MAPK14 (0.47) ALDH1A1L3MBTL1KDM4EGAAKMT2A
SCHEMBL30949218 0.85 ALDH1A1 (0.43) ALDH1A1L3MBTL1KDM4EGAAKMT2A
SCHEMBL1504503 0.85 ALDH1A1 (0.43) ALDH1A1L3MBTL1KDM4EGAAKMT2A
SCHEMBL25078533 0.84 ALDH1A1 (0.48) ALDH1A1L3MBTL1KDM4EGAAKMT2A
SCHEMBL30949243 0.84 ALDH1A1 (0.48) ALDH1A1L3MBTL1KDM4EGAAKMT2A
SCHEMBL2022640 0.84 GAA (0.45) ALDH1A1L3MBTL1KDM4EGAAKMT2A
SCHEMBL1504750 0.82 LMNA (0.49) ALDH1A1L3MBTL1KDM4EGAALMNA
SCHEMBL1504495 0.81 TTR (0.46) TSHRMAPK14
SCHEMBL1504761 0.80 ALDH1A1 (0.38) ALDH1A1KDM4EGAAKMT2ALMNA
SCHEMBL1504738 0.80 ALDH1A1 (0.44) ALDH1A1L3MBTL1KDM4EGAAKMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173684-B2 Pyridone derivatives as p38α MAPK inhibitors ASTELLAS PHARMA INC. (JP) 2012-05-08 US disclosed
EP-2155683-B8 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS ASTELLAS PHARMA INC (JP) 2011-09-21 EP disclosed
EP-2155683-B1 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS ASTELLAS PHARMA INC (JP) 2011-03-16 EP disclosed
US-20100063098-A1 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS ASTELLAS PHARMA INC. (JP) 2010-03-11 US disclosed
EP-2155683-A2 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS Astellas Pharma Inc. (JP) 2010-02-24 EP disclosed
WO-2008140066-A2 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS ASTELLAS PHARMA INC. (JP) 2008-11-20 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-20100063098-A1 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS MAPK1, MAPK6, MAPK3 ALDH1A1 671/4885L3MBTL1 2628/4885KDM4E 1656/4885

“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.