SCHEMBL4428399

SCHEMBL4428399

COc1ccc(C2C(=O)NC3(CCCCC3)C2=O)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 8/20 0.47
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
CA2 P00918 2/20 0.38
FPR1 P21462 1/20 0.37
FPR2 P25090 1/20 0.37
PDE7B Q9NP56 1/20 0.36

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
SCHEMBL4434523 0.87 PDE7A (0.39) PDE7ACA2PDE7B
SCHEMBL8559348 0.85 PDE7A (0.45) PDE7AKMT2APDE7B
SCHEMBL12496757 0.83 PDE7A (0.45) PDE7APDE7B
SCHEMBL8559775 0.81 TSHR (0.38) PDE7APDE7B
SCHEMBL4426483 0.77 CA2 (0.38) GRIN1GRIN2AGRIN2BCA2FPR1
SCHEMBL4428845 0.75 TDP1 (0.37) CA2
SCHEMBL11219581 0.75 GRIN1 (0.43) PDE7AGRIN1GRIN2AGRIN2BCA2
SCHEMBL6994973 0.74 PDE7A (0.42) PDE7AMEN1KMT2A
SCHEMBL8863053 0.74 KMT2A (0.42) PDE7AMEN1KMT2A
SCHEMBL7769002 0.74 KMT2A (0.42) PDE7AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741700-B1 1-H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES AS PEST-CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2009-10-07 EP disclosed
US-6939888-B2 1-H-3-arylpirrolidine-2,4-dione derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-09-06 US disclosed
US-20040019061-A1 1-H-3-arylpirrolidine-2,4-dione derivatives FISCHER REINER (DE) 2004-01-29 US disclosed
US-6472419-B1 1-H-3-aryl-pyrrolidine-2, 4-dione derivatives as pest-control agents BAYER AKTIENGESELLSCHAFT (DE) 2002-10-29 US disclosed
EP-0741700-A1 1-H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES AS PEST-CONTROL AGENTS BAYER AG (DE) 1996-11-13 EP disclosed
WO-1995020572-A1 1-H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES AS PEST-CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1995-08-03 WO 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-20040019061-A1 1-H-3-arylpirrolidine-2,4-dione derivatives PRXL2A, DDT, CYP4B1 PDE7A 1454/4885MEN1 3194/4885KMT2A 2190/4885

“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.