SCHEMBL1504738

SCHEMBL1504738

COC(=O)c1ccc(=O)n(-c2c(C)cc(F)cc2C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
HTR7 P34969 1/20 0.38
ATM Q13315 1/20 0.38
MAPK14 Q16539 1/20 0.38
PARP1 P09874 1/20 0.38
POLB P06746 1/20 0.37
NOTUM Q6P988 1/20 0.37

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
SCHEMBL1504502 0.86 LMNA (0.50) ALDH1A1L3MBTL1LMNAHSD17B10TDP1
SCHEMBL2022640 0.84 GAA (0.45) ALDH1A1L3MBTL1LMNAHSD17B10TDP1
SCHEMBL1504529 0.80 ALDH1A1 (0.46) ALDH1A1L3MBTL1LMNAHSD17B10TDP1
SCHEMBL2459873 0.78 KMT2A (0.52) ALDH1A1L3MBTL1LMNAHSD17B10KDM4E
SCHEMBL4876099 0.76 MAPK14 (0.46) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL25077892 0.76 ALDH1A1 (0.43) ALDH1A1L3MBTL1LMNAHSD17B10TDP1
SCHEMBL30159532 0.75 ALDH1A1 (0.47) ALDH1A1L3MBTL1LMNAHSD17B10KDM4E
SCHEMBL24849951 0.75 ALDH1A1 (0.47) ALDH1A1L3MBTL1LMNAHSD17B10KDM4E
SCHEMBL27795659 0.75 ACHE (0.42) ALDH1A1LMNATDP1KDM4EGAA
SCHEMBL1504800 0.75 MAPK14 (0.47) ALDH1A1L3MBTL1LMNAKDM4EGAA

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-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
CN-101675034-A Pyridone derivatives as p38a mapk inhibitors ASTELLAS PHARMA INC 2010-03-17 CN 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 ALDH1A1 671/4885L3MBTL1 2628/4885LMNA 2734/4885

“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.