SCHEMBL1504732

SCHEMBL1504732

O=C(Cl)c1ccc(=O)n(-c2cccc(F)c2F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.38
ALDH1A1 P00352 3/20 0.35
ALOX15 P16050 2/20 0.35
CES2 O00748 1/20 0.35
BCHE P06276 1/20 0.35
CES1 P23141 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
IDO1 P14902 1/20 0.33
KAT2B Q92831 1/20 0.33
NOTUM Q6P988 1/20 0.33
CYP2C9 P11712 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTGS2 P35354 1/20 0.32

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
SCHEMBL1504002 0.87 TTR (0.42) HCAR1CES2BCHECES1SMN1; SMN2
SCHEMBL30159267 0.87 TTR (0.42) HCAR1CES2BCHECES1SMN1; SMN2
SCHEMBL30949291 0.85 PARP10 (0.40) HCAR1ALDH1A1CES2BCHECES1
SCHEMBL1504761 0.83 ALDH1A1 (0.38) ALDH1A1ALOX15CES2BCHECES1
SCHEMBL1504503 0.82 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KMT2AHSD17B10CYP2C9
SCHEMBL30949218 0.82 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KMT2AHSD17B10CYP2C9
SCHEMBL1504556 0.78 LMNA (0.39) ALDH1A1ALOX15SMN1; SMN2KMT2ACYP2C9
SCHEMBL3306043 0.75 KDM4E (0.50) HCAR1ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL1504707 0.74 HDAC1 (0.43) ALDH1A1MEN1KMT2ACYP2C9CYP2C19
SCHEMBL30159505 0.74 PTGS1 (0.44) ALOX15SMN1; SMN2MEN1KMT2ANOTUM

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 3 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-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

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 HCAR1 236/4885ALDH1A1 671/4885ALOX15 1931/4885

“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.