SCHEMBL12202083

SCHEMBL12202083

CCOC(=O)C1=C2c3ccccc3C(=O)N2CCC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 5/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
ALDH1A1 P00352 4/20 0.43
GAA P10253 2/20 0.43
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
KDM4E B2RXH2 2/20 0.43
AGTR1 P30556 1/20 0.43
USP2 O75604 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALOX5 P09917 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
SCHEMBL2511903 0.85 CASP3 (0.42) CASP3CHRM2CHRM4CHRM5CHRM1
SCHEMBL2516651 0.79 POLB (0.44) ALDH1A1GAAKMT2AHSD17B10
SCHEMBL12228125 0.77 CASP3 (0.43) CASP3CHRM2CHRM4CHRM5CHRM1
SCHEMBL12202091 0.74 NPC1 (0.45) CASP3ALDH1A1
SCHEMBL7712676 0.74 L3MBTL1 (0.51) L3MBTL1ALDH1A1GAAKMT2AMEN1
SCHEMBL28680301 0.71 CASP3 (0.56) CASP3CHRM2CHRM4CHRM5CHRM1
SCHEMBL12202124 0.70 BCAT2 (0.41) L3MBTL1ALDH1A1GAAKMT2AMEN1
SCHEMBL1280809 0.68 HSD17B10 (0.54) ALDH1A1GAAKMT2AMEN1KDM4E
SCHEMBL12228324 0.68 TSHR (0.39) CASP3ALDH1A1KMT2AMEN1HSD17B10
SCHEMBL12202106 0.68 NPC1 (0.47) CASP3GAAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034939-B2 1-{3-H-imidazo[4,5-c]pyridin-2-yl}-3,4-dihydro-2H-pyrido[2,1-a] isoindole-6-one; anticarcinogenic agent: solid tumor and leukemia; neurodegenerative diseases: Alzheimer's and Huntington's diseases AVENTIS PHARMA S.A.. (FR) 2011-10-11 US disclosed
US-20080119507-A1 Novel Isoindole Derivatives, Compositions Containing Same, Preparation Thereof and Pharmaceutical Uses Thereof in Particular as Inhibitors of Chaperone Protein HSP90 Activities AVENTIS PHARMA S.A. (FR) 2008-05-22 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-20080119507-A1 Novel Isoindole Derivatives, Compositions Containing Same, Preparation Thereof and Pharmaceutical Uses Thereof in Particular as Inhibitors of Chaperone Protein HSP90 Activities HSP90B1, HSP90AB2P, HSP90AB1 CASP3 4005/4885L3MBTL1 4707/4885CHRM2 4844/4885

“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.