SCHEMBL2466944

SCHEMBL2466944

COC(=O)c1nc(-c2ccco2)c(Cl)c(N)c1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.58
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 5/20 0.46
MAPT P10636 4/20 0.46
HSD17B10 Q99714 4/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 2/20 0.46
MEN1 O00255 2/20 0.46
THRB P10828 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
GFER P55789 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ESR2 Q92731 1/20 0.46
ADORA2A P29274 6/20 0.44
ADORA1 P30542 6/20 0.44
PLAU P00749 1/20 0.43

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
SCHEMBL6167496 0.88 CFTR (0.55) CFTRHSP90AA1HSP90AB1KDM4EALDH1A1
SCHEMBL2468409 0.81 PTGS1 (0.50) CFTRKDM4EALDH1A1HPGDMAPT
SCHEMBL2468832 0.79 CFTR (0.54) CFTRKDM4EALDH1A1HPGDMAPT
SCHEMBL2464043 0.76 KDM4E (0.56) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL29556775 0.75 KDM4E (0.43) CFTRKDM4EALDH1A1HPGDMAPT
SCHEMBL16037342 0.75 KDM4E (0.43) CFTRKDM4EALDH1A1HPGDMAPT
SCHEMBL20727079 0.75 KDM4E (0.45) HSP90AB1KDM4EALDH1A1HPGDMAPT
SCHEMBL2465979 0.74 ERCC1 (0.47) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL16075442 0.74 KDM4E (0.44) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL16075414 0.74 RAB9A (0.50) KDM4EALDH1A1HPGDMAPTHSD17B10

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-2939541-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP disclosed
EP-2939540-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 CFTR 1910/4885HSP90AA1 501/4885HSP90AB1 556/4885
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides AADAC, DDT, AADAT CFTR 4160/4885HSP90AA1 852/4885HSP90AB1 1284/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 CFTR 1910/4885HSP90AA1 501/4885HSP90AB1 556/4885

“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.