SCHEMBL2466529

SCHEMBL2466529

COc1ccc(OC)c(-c2cc(N)c(Cl)c(C(=O)O)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
ADORA3 P0DMS8 2/20 0.48
MAPT P10636 5/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PIM1 P11309 2/20 0.42
KDM4C Q9H3R0 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.40
GABRG2 P18507 2/20 0.40

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
SCHEMBL2466437 0.89 ADORA3 (0.50) CYP2D6CYP2C9ADORA3MAPTALDH1A1
SCHEMBL6614598 0.87 MAPT (0.45) CYP2D6CYP2C9MAPTALDH1A1KMT2A
SCHEMBL2468801 0.85 HSP90AA1 (0.54) ADORA3ALDH1A1HPGDHSP90AA1HSP90AB1
SCHEMBL2466531 0.83 CYP2D6 (0.47) CYP2D6CYP2C9ADORA3MAPTALDH1A1
SCHEMBL2467819 0.82 KDM4E (0.52) ADORA3MAPTKDM4ETP53SMN1; SMN2
SCHEMBL2469712 0.81 HSP90AA1 (0.54) ALDH1A1HPGDHSP90AA1HSP90AB1KMT2A
SCHEMBL6613757 0.81 ADORA3 (0.58) CYP2D6CYP2C9ADORA3MAPTALDH1A1
SCHEMBL2468348 0.80 MAPT (0.54) ADORA3MAPTALDH1A1HPGDKMT2A
SCHEMBL29204242 0.80 CCNT1 (0.46) CYP2D6ADORA3HSP90AA1HSP90AB1KMT2A
SCHEMBL27504255 0.79 PIN1 (0.51) ADORA3MAPTALDH1A1HPGDKMT2A

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 CYP2D6 41/4885CYP2C9 275/4885ADORA3 3808/4885
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides AADAC, DDT, AADAT CYP2D6 112/4885CYP2C9 732/4885ADORA3 244/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 CYP2D6 41/4885CYP2C9 275/4885ADORA3 3808/4885

“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.