SCHEMBL4428111

SCHEMBL4428111

COc1cccc(Br)c1C1C(=O)NC(C)(C(C)C)C1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
TP53 P04637 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
ALDH1A1 P00352 3/20 0.31
CYBB P04839 1/20 0.31
NOX5 Q96PH1 1/20 0.31
NOX1 Q9Y5S8 1/20 0.31
POLB P06746 1/20 0.31
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL4428134 0.85 CRHBP (0.37) HDAC4HDAC8ALDH1A1POLBHCRTR1
SCHEMBL7000246 0.69 HSD11B1 (0.36) CA1CA2CA12CA9ALDH1A1
SCHEMBL4427953 0.69 CRHBP (0.40) CA1CA2CA12CA9ALDH1A1
SCHEMBL11229583 0.67 HCRTR1 (0.39) CA1CA2HCRTR1HCRTR2ACHE
SCHEMBL5732840 0.62 CREBBP (0.40) HDAC4HDAC8CA1CA2TP53
SCHEMBL28054774 0.62 ABCB1 (0.51) CA1CA2TP53CA12CA9
SCHEMBL5732983 0.60 CREBBP (0.46) CA1CA2CA12CA9ALDH1A1
SCHEMBL31582692 0.59 CA12 (0.39) CA1CA2TP53CA12CA9
SCHEMBL5732528 0.59 MAPT (0.41) HDAC4HDAC8TP53ALDH1A1POLB
SCHEMBL6667331 0.59 CA12 (0.35) CA1CA2TP53CA12CA9

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 HDAC4 2008/4885HDAC8 2548/4885CA1 4398/4885

“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.