SCHEMBL1504547

SCHEMBL1504547

COC(=O)c1ccc(=O)n(-c2ccccc2C)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
LMNA P02545 4/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.41
MYC P01106 1/20 0.41
POLB P06746 1/20 0.40
S1PR1 P21453 1/20 0.40
HSD17B10 Q99714 1/20 0.40
IDH1 O75874 1/20 0.40

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
SCHEMBL25077892 0.86 ALDH1A1 (0.43) ALDH1A1LMNAMAPTGAAKDM4E
SCHEMBL30949243 0.84 ALDH1A1 (0.48) ALDH1A1LMNAMAPTGAAKDM4E
SCHEMBL25078533 0.84 ALDH1A1 (0.48) ALDH1A1LMNAMAPTGAAKDM4E
SCHEMBL2022640 0.84 GAA (0.45) ALDH1A1LMNAMAPTGAAKDM4E
SCHEMBL1504723 0.83 NOTUM (0.42) ALDH1A1LMNAMAPTGAAKDM4E
SCHEMBL30159285 0.81 GAA (0.45) ALDH1A1LMNAMAPTGAAKDM4E
SCHEMBL27795665 0.81 LOXL2 (0.44) ALDH1A1LMNAMAPTGAAKDM4E
SCHEMBL24850218 0.81 GAA (0.45) ALDH1A1LMNAMAPTGAAKDM4E
SCHEMBL142307 0.80 KDM4E (0.53) ALDH1A1LMNAMAPTGAAKDM4E
SCHEMBL30949218 0.79 ALDH1A1 (0.43) ALDH1A1LMNAMAPTGAAKDM4E

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 ALDH1A1 671/4885LMNA 2734/4885MAPT 3365/4885

“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.