SCHEMBL4428134

SCHEMBL4428134

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
CACNG8 Q8WXS5 2/20 0.36
GRIA1 P42261 1/20 0.36
HCRTR1 O43613 7/20 0.34
HCRTR2 O43614 7/20 0.34
PDE7A Q13946 1/20 0.33
CACNB4 O00305 1/20 0.32
CACNA1A O00555 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNG3 O60359 1/20 0.32
CACNA1F O60840 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNB3 P54284 1/20 0.32
CACNA2D1 P54289 1/20 0.32
CACNG7 P62955 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNA1D Q01668 1/20 0.32
CACNB1 Q02641 1/20 0.32
CACNG1 Q06432 1/20 0.32

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
SCHEMBL4428111 0.85 HDAC4 (0.32) HCRTR1HCRTR2HDAC4HDAC8ALDH1A1
SCHEMBL4427953 0.84 CRHBP (0.40) CRHBPCRHR2CACNG8GRIA1HCRTR1
SCHEMBL4426483 0.75 CA2 (0.38)
SCHEMBL7000259 0.73 MAPT (0.32)
SCHEMBL15001062 0.70 CRHBP (0.43) CRHBPCRHR2CACNG8GRIA1HCRTR1
SCHEMBL7000246 0.69 HSD11B1 (0.36) HCRTR1HCRTR2ALDH1A1POLB
SCHEMBL15001063 0.69 CRHBP (0.45) CRHBPCRHR2HCRTR1HCRTR2
SCHEMBL11228395 0.69 CRHBP (0.38) CRHBPCRHR2HCRTR1HCRTR2PDE7A
SCHEMBL11224539 0.67 CRHBP (0.43) CRHBPCRHR2HCRTR1HCRTR2
SCHEMBL10500029 0.67 CA2 (0.53) CRHBPCRHR2CACNG8GRIA1HCRTR1

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 CRHBP 2802/4885CRHR2 834/4885CACNG8 2747/4885

“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.