SCHEMBL2469712

SCHEMBL2469712

COc1cc(Cl)ccc1-c1cc(N)c(Cl)c(C(=O)O)n1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.54
HSP90AB1 P08238 2/20 0.54
MAPK1 P28482 2/20 0.42
PIK3CA P42336 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 2/20 0.40
AGPAT2 O15120 5/20 0.39
CTSA P10619 1/20 0.39
LMNA P02545 1/20 0.39
ALPL P05186 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
SCHEMBL2462750 0.89 HSP90AA1 (0.53) HSP90AA1HSP90AB1MAPK1PIK3CAMAPK8
SCHEMBL29204242 0.88 CCNT1 (0.46) HSP90AA1HSP90AB1KDM4EMEN1POLB
SCHEMBL2468801 0.86 HSP90AA1 (0.54) HSP90AA1HSP90AB1ALDH1A1KDM4EMEN1
SCHEMBL27837930 0.85 HSP90AA1 (0.39) HSP90AA1HSP90AB1ALDH1A1KDM4EMEN1
SCHEMBL18131567 0.84 HSP90AA1 (0.38) HSP90AA1HSP90AB1MAPK1PIK3CAMAPK8
SCHEMBL9938970 0.84 CYP3A4 (0.46) HSP90AA1HSP90AB1MAPK1ALDH1A1KDM4E
SCHEMBL16080057 0.84 HSP90AA1 (0.53) HSP90AA1HSP90AB1MAPK1PIK3CAMAPK8
SCHEMBL2470387 0.83 GRM2 (0.43) HSP90AA1HSP90AB1AGPAT2
SCHEMBL2469714 0.83 HSP90AA1 (0.52) HSP90AA1HSP90AB1MAPK1PIK3CAMAPK8
SCHEMBL2468344 0.83 HSP90AA1 (0.50) HSP90AA1HSP90AB1ALDH1A1KDM4EMEN1

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 12 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
CN-102300459-A Herbicide-safener combination 2011-12-28 CN 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 HSP90AA1 501/4885HSP90AB1 556/4885MAPK1 3831/4885
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides AADAC, DDT, AADAT HSP90AA1 852/4885HSP90AB1 1284/4885MAPK1 3812/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 HSP90AA1 501/4885HSP90AB1 556/4885MAPK1 3831/4885

“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.