SCHEMBL168947

SCHEMBL168947

O=C(O)C(Oc1ccc(Cl)c2cccnc12)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.62
ALOX12 P18054 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
CYP3A4 P08684 1/20 0.62
GAA P10253 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
HTT P42858 1/20 0.55
PKM P14618 1/20 0.55
HSP90AA1 P07900 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
CCR6 P51684 1/20 0.54
MAPT P10636 5/20 0.53
ALDH1A1 P00352 3/20 0.53
KMT2A Q03164 3/20 0.53
HSD17B10 Q99714 2/20 0.53
MEN1 O00255 2/20 0.53
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
TP53 P04637 1/20 0.51

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
SCHEMBL30112294 0.88 KDM4E (0.55) KDM4EALOX12TDP1CYP3A4GAA
SCHEMBL3454271 0.88 KDM4E (0.55) KDM4EALOX12TDP1CYP3A4GAA
SCHEMBL31606573 0.88 KDM4E (0.55) KDM4EALOX12TDP1CYP3A4GAA
SCHEMBL9282530 0.86 KDM4E (0.59) KDM4EALOX12TDP1CYP3A4GAA
SCHEMBL571602 0.86 KDM4E (0.63) KDM4EALOX12TDP1CYP3A4GAA
SCHEMBL167490 0.83 KDM4E (0.59) KDM4EALOX12TDP1CYP3A4GAA
SCHEMBL30050527 0.83 KDM4E (0.59) KDM4EALOX12TDP1CYP3A4GAA
SCHEMBL571223 0.83 KDM4E (0.59) KDM4EALOX12TDP1CYP3A4GAA
SCHEMBL1831195 0.82 KDM4E (0.39) KDM4EALOX12TDP1CYP3A4GAA
SCHEMBL571825 0.81 KDM4E (0.60) KDM4EALOX12TDP1CYP3A4GAA

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 1488 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113367128-A Composition containing R-type oxadiazolyl aryl formamide compound and safener and application thereof 江苏清原农冠杂草防治有限公司 2021-09-10 CN claimed
EP-2939541-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP claimed
EP-1943218-B1 ALKOXYALKYL SPIROCYCLIC TETRAMIC ACIDS AND TETRONIC ACIDS BAYER IP GMBH (DE) 2015-05-06 EP claimed
EP-1966135-B1 3'-ALKOXY-SPIROCYCLOPENTYL-SUBSTITUTED TETRAMIC AND TETRONIC ACIDS BAYER CROPSCIENCE AG (DE) 2013-10-09 EP claimed
CN-102300459-A Herbicide-safener combination 2011-12-28 CN claimed
WO-2011138280-A2 HERBICIDE/SAFENER COMBINATIONS COMPRISING ARYLPYRIDAZINONES AND SAFENER BAYER CROPSCIENCE AG (DE) 2011-11-10 WO claimed
CN-102227165-A Herbicide/safener combination BAYER CROPSCIENCE AG 2011-10-26 CN claimed
CN-102223795-A Herbicide-safener combination BAYER CROPSCIENCE AG 2011-10-19 CN claimed
EP-2369931-A2 HERBICIDE/SAFENER COMBINATION Bayer CropScience AG (DE) 2011-10-05 EP claimed
EP-2369922-A2 HERBICIDE-SAFENER COMBINATION Bayer CropScience AG (DE) 2011-10-05 EP claimed
EP-2191720-A1 Herbicide-safener combination Bayer CropScience AG (DE) 2010-06-02 EP claimed
EP-2191719-A1 Herbicide safener combination Bayer CropScience AG (DE) 2010-06-02 EP claimed
EP-2191716-A1 Herbicide safener combination Bayer CropScience AG (DE) 2010-06-02 EP claimed
CN-1988801-A security method BAYER CROPSCIENCE GMBH (DE) 2007-06-27 CN claimed
EP-1791425-A2 SAFENING METHOD Bayer CropScience AG (DE) 2007-06-06 EP claimed
US-20070021303-A1 Safening method BAYER CROPSCIENCE AG (DE) 2007-01-25 US claimed
WO-2006007982-A2 SAFENING METHOD BAYER CROPSCIENCE GMBH (DE) 2006-01-26 WO claimed
EP-1418811-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED CYCLIC KETO-ENOLS AND SAFENERS Bayer CropScience AG (DE) 2004-05-19 EP claimed
WO-2003013249-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED CYCLIC KETO-ENOLS AND SAFENERS BAYER CROPSCIENCE AG (DE) 2003-02-20 WO claimed
WO-2001043546-A2 COMBINATIONS OF HERBICIDAL ALKYLAZINES AND SAFENERS AVENTIS CROPSCIENCE GMBH (DE) 2001-06-21 WO claimed

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-20070021303-A1 Safening method BCL2, BCL2L11, CYP51A1 KDM4E 3362/4885ALOX12 169/4885TDP1 1593/4885

“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.