SCHEMBL3333162

SCHEMBL3333162

COC(=O)c1nc(-c2cc(OC)ccc2OC)cc(NC(C)=O)c1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.58
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
MAPT P10636 5/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TP53 P04637 2/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GLA P06280 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL6613757 0.91 ADORA3 (0.58) ADORA3HSD17B1HSD17B2MAPTKDM4E
SCHEMBL2469969 0.83 ALDH1A1 (0.46) ADORA3KDM4EALDH1A1HTTMEN1
SCHEMBL2466437 0.83 ADORA3 (0.50) ADORA3MAPTKDM4EALDH1A1HTT
SCHEMBL2468155 0.82 ADORA3 (0.58) ADORA3HSD17B1HSD17B2MAPTKDM4E
SCHEMBL3331762 0.80 ALDH1A1 (0.46) ADORA3KDM4EALDH1A1MEN1KMT2A
SCHEMBL16045748 0.79 ALDH1A1 (0.42) ADORA3KDM4EALDH1A1MEN1KMT2A
SCHEMBL3332864 0.79 PYGL (0.39) ADORA3MAPTKDM4EALDH1A1TP53
SCHEMBL2468338 0.78 PKM (0.47) MAPTKDM4EALDH1A1HTTMEN1
SCHEMBL3329058 0.78 ADORA2A (0.39) ADORA3KDM4EALDH1A1HSD17B10MAPK1
SCHEMBL3327361 0.77 ALDH1A1 (0.46) ADORA3MAPTKDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2939540-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP disclosed
EP-2939541-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP disclosed
US-8962523-B2 Herbicide/safener combination BAYER CROPSCIENCE AG (DE) 2015-02-24 US disclosed
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2015-02-19 US disclosed
US-20100137137-A1 HERBICIDE/SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 US disclosed
EP-2191719-A1 Herbicide safener combination Bayer CropScience AG (DE) 2010-06-02 EP disclosed
EP-1414814-B1 6-ARYL-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2005-02-02 EP disclosed
US-6784137-B2 SUCH AS 5,6-DICHLOROPYRIDINE-2-CARBOXYLIC ACID-N-OXIDE FOR PREEMERGENCE APPLICATION DOW AGROSCIENCES LLC 2004-08-31 US disclosed
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides CORTEVA AGRISCIENCE LLC 2003-06-19 US 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 (3 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-20100137137-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 ADORA3 3808/4885HSD17B1 573/4885HSD17B2 424/4885
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides AADAC, DDT, AADAT ADORA3 244/4885HSD17B1 2958/4885HSD17B2 2742/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 ADORA3 3808/4885HSD17B1 573/4885HSD17B2 424/4885

“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.