SCHEMBL1504586

SCHEMBL1504586

CC(c1ccccc1)n1cc(C(=O)O)ccc1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
BRD4 O60885 2/20 0.43
KDM5A P29375 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
MET P08581 2/20 0.42
PTGS2 P35354 1/20 0.42
HTT P42858 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CREBBP Q92793 1/20 0.39
ALKBH1 Q13686 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
GABRA1 P14867 2/20 0.38

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
SCHEMBL1503865 0.85 MAPK1 (0.51) ALDH1A1TDP1BRD4HTTGAA
SCHEMBL4436629 0.83 OPRD1 (0.45) GAA
SCHEMBL3159104 0.81 HCAR3 (0.49) ALDH1A1TDP1PTGS2GAAKMT2A
SCHEMBL14972220 0.79 MAPT (0.44) ALDH1A1TDP1PTGS2HTTGAA
SCHEMBL27795661 0.77 ELANE (0.45) ALDH1A1TDP1METPTGS2GAA
SCHEMBL14972192 0.76 ALDH1A1 (0.47) ALDH1A1TDP1BRD4KDM5AKDM5B
SCHEMBL14972269 0.76 ALDH1A1 (0.47) ALDH1A1TDP1BRD4KDM5AKDM5B
SCHEMBL1852937 0.74 PTGS2 (0.57) PTGS2
SCHEMBL18616103 0.72 BRD4 (0.75) ALDH1A1TDP1BRD4HTTCREBBP
SCHEMBL18616104 0.72 BRD4 (0.75) ALDH1A1TDP1BRD4HTTCREBBP

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 671/4885TDP1 1933/4885BRD4 585/4885

“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.