SCHEMBL6482453

SCHEMBL6482453

COc1ccc(CC(=O)NC2(C(=O)O)CCC(C(C)C)CC2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
P2RX7 Q99572 3/20 0.40
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR2A P28223 2/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
SHMT1 P34896 2/20 0.36
SHMT2 P34897 2/20 0.36
CTSD P07339 1/20 0.36
CXCR5 P32302 1/20 0.36
NQO2 P16083 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35

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
SCHEMBL6474825 0.92 MEN1 (0.40) MEN1KMT2AP2RX7ALDH1A1THRB
SCHEMBL7949839 0.89 MEN1 (0.41) MEN1KMT2AP2RX7ALDH1A1HTT
SCHEMBL6475742 0.89 KMT2A (0.42) MEN1KMT2AP2RX7ALDH1A1THRB
SCHEMBL6483626 0.88 FFAR4 (0.43) MEN1KMT2AP2RX7ALDH1A1THRB
SCHEMBL6483794 0.88 MEN1 (0.42) MEN1KMT2AP2RX7ALDH1A1THRB
SCHEMBL8906957 0.87 SHMT1 (0.47) MEN1KMT2AP2RX7SIGMAR1SHMT1
SCHEMBL6474818 0.87 MEN1 (0.41) MEN1KMT2AP2RX7ALDH1A1THRB
SCHEMBL8654468 0.86 SHMT1 (0.38) P2RX7FFAR4SIGMAR1SHMT1SHMT2
SCHEMBL6483531 0.86 SHMT1 (0.43) MEN1KMT2AP2RX7ALDH1A1THRB
SCHEMBL6475226 0.85 MEN1 (0.45) MEN1KMT2AP2RX7ALDH1A1THRB

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-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

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 MEN1 3194/4885KMT2A 2190/4885P2RX7 898/4885

“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.