SCHEMBL2467009

SCHEMBL2467009

COC(=O)c1nc(-c2ccc(OC)cc2)cc(N)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
PKM P14618 2/20 0.52
PLA2G2A P14555 4/20 0.52
CASP1 P29466 2/20 0.49
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
NPC1 O15118 1/20 0.48
ALPL P05186 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
DYRK1A Q13627 1/20 0.47
ADORA3 P0DMS8 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PRKDC P78527 1/20 0.45
ATR Q13535 1/20 0.45
ALDH1A1 P00352 2/20 0.44
TP53 P04637 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
SCHEMBL2469806 0.89 KDM4E (0.54) KDM4EPKMPLA2G2AMAPTLMNA
SCHEMBL2467819 0.88 KDM4E (0.52) KDM4EPLA2G2ACASP1MAPTALPL
SCHEMBL2468294 0.88 MAPT (0.47) KDM4EPKMPLA2G2AMAPTNPC1
SCHEMBL2469959 0.88 ADORA3 (0.50) KDM4EPKMPLA2G2ACASP1MAPT
SCHEMBL16075474 0.87 KDM4E (0.43) KDM4EPKMPLA2G2ACASP1MAPT
SCHEMBL3329032 0.87 ALDH1A1 (0.48) KDM4EPKMPLA2G2AMAPTNPC1
SCHEMBL2464532 0.87 SMN1; SMN2 (0.48) KDM4EPKMPLA2G2ACASP1MAPT
SCHEMBL16075427 0.87 SLC2A1 (0.46) KDM4EPKMCASP1MAPTNPC1
SCHEMBL3325122 0.87 NPC1 (0.40) KDM4EPKMPLA2G2ACASP1MAPT
SCHEMBL16075402 0.87 PTGES (0.40) KDM4EPKMPLA2G2ACASP1MAPT

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-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
EP-1414814-A1 6-ARYL-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES Dow Agrosciences LLC (US) 2004-05-06 EP disclosed
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides CORTEVA AGRISCIENCE LLC 2003-06-19 US disclosed
WO-2003011853-A1 6-ARYL-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2003-02-13 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 (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 4579/4885PKM 3491/4885PLA2G2A 4289/4885
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides AADAC, DDT, AADAT KDM4E 969/4885PKM 2868/4885PLA2G2A 2933/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 KDM4E 4579/4885PKM 3491/4885PLA2G2A 4289/4885

“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.