SCHEMBL6475274

SCHEMBL6475274

COc1cccc(Cl)c1CC(=O)NCC(C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.44
LPAR1 Q92633 1/20 0.44
THRB P10828 1/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
P2RX7 Q99572 3/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL6481422 0.90 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1LMNALPAR1THRB
SCHEMBL6735652 0.82 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1LMNALPAR1THRB
SCHEMBL4431531 0.82 SHMT2 (0.51) SMN1; SMN2ALDH1A1LMNALPAR1THRB
SCHEMBL4431529 0.82 SHMT2 (0.51) SMN1; SMN2ALDH1A1LMNALPAR1THRB
SCHEMBL4435142 0.80 MBTPS1 (0.47) SMN1; SMN2ALDH1A1LMNALPAR1THRB
SCHEMBL4435139 0.80 MBTPS1 (0.47) SMN1; SMN2ALDH1A1LMNALPAR1THRB
SCHEMBL4423940 0.78 ATM (0.48) ALDH1A1LMNATHRB
SCHEMBL4423941 0.78 ATM (0.48) ALDH1A1LMNATHRB
SCHEMBL4421060 0.77 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1LMNATHRBPOLB
SCHEMBL4421059 0.77 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1LMNATHRBPOLB

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 SMN1; SMN2 3528/4885ALDH1A1 792/4885LMNA 2427/4885

“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.