SCHEMBL3328010

SCHEMBL3328010

COC(=O)c1nc(-c2nccs2)cc(NC(C)=O)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGER Q15109 2/20 0.45
HSP90B1 P14625 2/20 0.41
ALDH1A1 P00352 1/20 0.38
TACR3 P29371 1/20 0.37
ADORA2A P29274 4/20 0.37
HPGD P15428 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP1B1 Q16678 1/20 0.36
ADORA1 P30542 3/20 0.36
KCNMA1 Q12791 1/20 0.36
MAPT P10636 1/20 0.36
SMPD3 Q9NY59 1/20 0.36
SYK P43405 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6168248 0.84 CYP1A1 (0.45) AGERHSP90B1TACR3ADORA2AHPGD
SCHEMBL2470760 0.82 HPGD (0.42) HSP90B1ALDH1A1TACR3ADORA2AHPGD
SCHEMBL3326161 0.78 MAPT (0.42) ALDH1A1MAPTMEN1KMT2A
SCHEMBL3326378 0.77 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2A
SCHEMBL2467820 0.77 ADORA2A (0.53) ALDH1A1ADORA2AADORA1MAPTMEN1
SCHEMBL2469495 0.76 ADORA3 (0.53) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL32669001 0.76 ALDH1A1 (0.48) ALDH1A1CYP1A2MAPT
SCHEMBL2338797 0.76 ALDH1A1 (0.48) ALDH1A1CYP1A2MAPT
SCHEMBL2467042 0.75 ALDH1A1 (0.40) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL2467108 0.75 ADORA3 (0.53) ALDH1A1HPGDMAPTMEN1KMT2A

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
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 AGER 3996/4885HSP90B1 816/4885ALDH1A1 209/4885
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides AADAC, DDT, AADAT AGER 3838/4885HSP90B1 1241/4885ALDH1A1 713/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 AGER 3996/4885HSP90B1 816/4885ALDH1A1 209/4885

“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.