SCHEMBL4433341

SCHEMBL4433341

COc1cc(Cl)ccc1C1C(=O)NC(C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
TRPV4 Q9HBA0 1/20 0.39
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 3/20 0.36
LPAR1 Q92633 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
ADAM17 P78536 2/20 0.36
ADAMTS5 Q9UNA0 2/20 0.36
CA2 P00918 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
CDYL2 Q8N8U2 1/20 0.35
CDYL Q9Y232 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 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
SCHEMBL6989515 0.84 ACHE (0.41) GAAALDH1A1KDM4ELPAR1CA2
SCHEMBL8650400 0.82 GAA (0.54) GAAALDH1A1KDM4EHPGDMEN1
SCHEMBL8557122 0.81 GAA (0.42) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL1153007 0.76 MAP3K14 (0.35) GAAALDH1A1KDM4EPOLBMEN1
SCHEMBL4433853 0.71 ADAM17 (0.39) TRPV4LPAR1ADAM17ADAMTS5CA2
SCHEMBL1813818 0.70 HTR2C (0.33) GAAALDH1A1KDM4EHPGDRAB9A
SCHEMBL6207998 0.68 ALDH1A1 (0.49) GAAALDH1A1KDM4EPOLBHPGD
SCHEMBL812402 0.68 PGR (0.49) ALDH1A1HPGD
SCHEMBL812401 0.68 PGR (0.40) GAAALDH1A1
SCHEMBL4426474 0.67 ADAM17 (0.46) GAATRPV4ALDH1A1LPAR1ADAM17

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 GAA 1674/4885TRPV4 2138/4885ALDH1A1 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.