SCHEMBL2463233

SCHEMBL2463233

COC(=O)c1nc(-c2ccc(OC)c(C)c2)cc(N)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
MAPT P10636 3/20 0.44
DHODH Q02127 1/20 0.41
PKM P14618 3/20 0.40
RCE1 Q9Y256 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
ADORA3 P0DMS8 2/20 0.39
GAA P10253 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
NQO2 P16083 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 1/20 0.38
PTGS2 P35354 1/20 0.38
KMO O15229 1/20 0.38

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
SCHEMBL2468162 0.90 DHODH (0.51) KDM4EMAPTDHODHALDH1A1L3MBTL1
SCHEMBL2466311 0.89 MAPT (0.45) KDM4EMAPTDHODHL3MBTL1PRMT5
SCHEMBL2467545 0.89 KDM4E (0.43) KDM4EMAPTPKMRCE1ALDH1A1
SCHEMBL3333081 0.88 KDM4E (0.47) KDM4EMAPTPKMRCE1ALDH1A1
SCHEMBL2468294 0.84 MAPT (0.47) KDM4EMAPTDHODHPKMRCE1
SCHEMBL20727041 0.83 SLC6A3 (0.43) KDM4EMAPTPKMRCE1ALDH1A1
SCHEMBL16128773 0.83 KDM4E (0.38) KDM4EMAPTDHODHPKMRCE1
SCHEMBL22366873 0.83 KDM4E (0.49) KDM4EMAPTPKMRCE1ALDH1A1
SCHEMBL2467009 0.83 KDM4E (0.52) KDM4EMAPTPKMRCE1ALDH1A1
SCHEMBL3324323 0.83 KDM4E (0.58) KDM4EMAPTPKMRCE1ALDH1A1

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 11 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
EP-2369929-A2 HERBICIDE-SAFENER COMBINATION Bayer CropScience AG (DE) 2011-10-05 EP disclosed
WO-2010060581-A2 HERBICIDE-SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 WO 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 KDM4E 4579/4885MAPT 4056/4885DHODH 237/4885
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides AADAC, DDT, AADAT KDM4E 969/4885MAPT 526/4885DHODH 2462/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 KDM4E 4579/4885MAPT 4056/4885DHODH 237/4885

“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.