SCHEMBL6352137

SCHEMBL6352137

CC(C)(O)c1cccc(-c2c(-c3cccs3)c(=O)[nH]c3ccccc23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.48
MMP2 P08253 4/20 0.41
MMP9 P14780 3/20 0.41
MMP8 P22894 3/20 0.41
MMP13 P45452 3/20 0.41
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
MAPT P10636 2/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
MAPK14 Q16539 3/20 0.38
ADORA3 P0DMS8 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 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
SCHEMBL6351761 0.91 PDE2A (0.49) PDE2AMMP2MMP9MMP8MMP13
SCHEMBL10146691 0.85 PDE2A (0.65) PDE2AMAPTMEN1ALDH1A1LMNA
SCHEMBL957899 0.83 PDE2A (0.53) PDE2AMMP2MMP9MMP8MMP13
SCHEMBL2681247 0.83 PDE2A (0.54) PDE2AMMP2MMP9MMP8MMP13
SCHEMBL959945 0.80 PDE2A (0.55) PDE2AMMP2MMP9MMP8MMP13
SCHEMBL959220 0.80 PDE2A (0.49) PDE2AMMP2MMP9MMP8MMP13
SCHEMBL958299 0.80 PDE2A (0.49) PDE2AMMP2MMP9MMP8MMP13
SCHEMBL935270 0.79 PDE2A (0.48) PDE2AMMP2MMP9MMP8MMP13
SCHEMBL962621 0.79 PDE2A (0.55) PDE2AMMP2MMP9MMP8MMP13
SCHEMBL935272 0.79 PDE2A (0.48) PDE2AMMP2MMP9MMP8MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115885-A1 Quinolinone PDE2 Inhibitors MERCK SHARP & DOHME LLC 2012-05-10 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-20120115885-A1 Quinolinone PDE2 Inhibitors PDE12, PDE2A, PDE4A PDE2A 2/4885MMP2 1946/4885MMP9 2484/4885

“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.