SCHEMBL1830308

SCHEMBL1830308

O=C(O)COc1ccc(Cl)c2nccnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.54
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
CASP1 P29466 2/20 0.49
HSD17B10 Q99714 2/20 0.49
PPARG P37231 1/20 0.49
CASP7 P55210 1/20 0.49
NCOA2 Q15596 1/20 0.49
NCOA1 Q15788 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
TSHR P16473 1/20 0.49
PKM P14618 1/20 0.48
HIF1A Q16665 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
PTGDR2 Q9Y5Y4 8/20 0.44
MCL1 Q07820 1/20 0.44

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
SCHEMBL341900 0.83 LMNA (0.54) TDP1KDM4EALDH1A1TSHRPKM
SCHEMBL137002 0.81 PKM (0.71) TDP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29490828 0.81 PKM (0.71) TDP1KDM4EALDH1A1HPGDHSD17B10
Ammonia Solution, Strong SCHEMBL7175009 0.80 PKM (0.70) TDP1KDM4EALDH1A1HPGDHSD17B10
Water SCHEMBL20575696 0.80 PKM (0.70) TDP1KDM4EALDH1A1HPGDHSD17B10
Water SCHEMBL6469488 0.80 PKM (0.70) TDP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7187750 0.80 PKM (0.70) TDP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6423993 0.79 PKM (0.45) TDP1KDM4EALDH1A1HPGDCASP1
SCHEMBL341901 0.79 KDM4E (0.49) TDP1KDM4EALDH1A1HPGDCASP1
SCHEMBL2453260 0.77 PKM (0.38) TDP1KDM4EALDH1A1HPGDCASP1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1761490-B1 3'-ALKOXY SPIROCYCLIC TETRAMIC AND TETRONIC ACIDS BAYER CROPSCIENCE AG (DE) 2011-09-07 EP claimed
EP-1606254-B1 2,4,6-PHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2011-05-11 EP claimed
US-20050192182-A1 Herbicidal mixtures based on substituted aryl ketones BAYER CROPSCIENCE AG (DE) 2005-09-01 US claimed
US-20040116294-A1 Herbicides based on substituted aryl ketones BAYER CROPSCIENCE AG (DE) 2004-06-17 US claimed
EP-2675277-A1 SYNERGISTIC COMBINATIONS CONTAINING A DITHIINO-TETRACARBOXAMIDE FUNGICIDE AND A HERBICIDE, SAFENER OR PLANT GROWTH REGULATOR Bayer Intellectual Property GmbH (DE) 2013-12-25 EP disclosed
WO-2012110517-A1 SYNERGISTIC COMBINATIONS CONTAINING A DITHIINO-TETRACARBOXAMIDE FUNGICIDE AND A HERBICIDE, SAFENER OR PLANT GROWTH REGULATOR BAYER CROPSCIENCE AG (DE) 2012-08-23 WO disclosed
CN-1198507-C Selective herbicides based on substituted phenylsulfonylaminocarbonyltriazolinones and safeners BAYER AG (DE) 2005-04-27 CN disclosed
EP-1211941-B1 SELECTIVE HERBICIDES ON THE BASIS OF A SUBSTITUTED PHENYLSULFONYLAMINOCARBONYLTRIAZOLINONE AND SAFENERS BAYER CROPSCIENCE AG (DE) 2003-11-26 EP disclosed
CN-1379622-A Selective herbicides based on substituted phenylsulfonylaminocarbonyltriazolinones and safeners BAYER AG (DE) 2002-11-13 CN disclosed
EP-1211941-A1 SELECTIVE HERBICIDES ON THE BASIS OF A SUBSTITUTED PHENYLSULFONYLAMINOCARBONYLTRIAZOLINONE AND SAFENERS Bayer Aktiengesellschaft (DE) 2002-06-12 EP disclosed
WO-2001015533-A1 SELECTIVE HERBICIDES ON THE BASIS OF A SUBSTITUTED PHENYLSULFONYLAMINOCARBONYLTRIAZOLINONE AND SAFENERS BAYER AKTIENGESELLSCHAFT (DE) 2001-03-08 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-20050192182-A1 Herbicidal mixtures based on substituted aryl ketones DDT, CBR3, CYP1B1 TDP1 1519/4885KDM4E 1246/4885ALDH1A1 148/4885

“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.