SCHEMBL6483796

SCHEMBL6483796

COc1ccc(C(Cl)C(=O)NC2(C(=O)O)CCC(OC)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
CNR2 P34972 2/20 0.36
GPR88 Q9GZN0 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
YAP1 P46937 1/20 0.34
TEAD4 Q15561 1/20 0.34

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
SCHEMBL6481442 0.91 SMYD3 (0.37) SMYD3NPSR1ALDH1A1CYP3A4CYP2D6
SCHEMBL8654101 0.89 HTR1E (0.34) ALDH1A1
SCHEMBL6475744 0.89 POLB (0.39) SMYD3NPSR1ALDH1A1CYP3A4CYP2D6
SCHEMBL7960746 0.88 GPR88 (0.44) SMYD3ALDH1A1CYP3A4CYP2D6MAPK1
SCHEMBL6482458 0.87 SMYD3 (0.36) SMYD3NPSR1ALDH1A1CYP3A4CYP2D6
SCHEMBL6483536 0.87 FAAH (0.43) NPSR1CNR2KMT2AMEN1
SCHEMBL6483628 0.86 CNR2 (0.37) NPSR1ALDH1A1CYP3A4CYP2D6MAPK1
SCHEMBL6474821 0.86 NPSR1 (0.40) SMYD3NPSR1ALDH1A1CYP3A4CYP2D6
SCHEMBL6475256 0.85 FAAH (0.45) NPSR1CNR2KMT2AMEN1
SCHEMBL6475228 0.85 FAAH (0.45) NPSR1CNR2KMT2AMEN1

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 SMYD3 3816/4885NPSR1 828/4885ALDH1A1 792/4885

“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.