SCHEMBL3329174

SCHEMBL3329174

COC(=O)c1nc(C(=O)c2cc(Br)no2)cc(NC(C)=O)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 2/20 0.32
TP53 P04637 1/20 0.32
IAPP P10997 1/20 0.32
STAT3 P40763 1/20 0.32
CYP1A2 P05177 1/20 0.32
SMN1; SMN2 Q16637 4/20 0.31
LMNA P02545 2/20 0.31
POLB P06746 2/20 0.31
PPARG P37231 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
NQO2 P16083 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL3329986 0.83 NQO2 (0.38) ALDH1A1MAPTKDM4ETP53SMN1; SMN2
SCHEMBL3330390 0.80 ALDH1A1 (0.35) ALDH1A1MAPTKDM4EHPGDHTT
SCHEMBL20955429 0.76 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EIAPPCYP1A2
SCHEMBL6166698 0.76 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EIAPPCYP1A2
SCHEMBL16776856 0.74 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EIAPPCYP1A2
SCHEMBL32669001 0.73 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EIAPPCYP1A2
SCHEMBL2338797 0.73 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EIAPPCYP1A2
SCHEMBL20727067 0.72 ALDH1A1 (0.47) ALDH1A1MAPTHTTTP53IAPP
SCHEMBL16029610 0.71 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EIAPPCYP1A2
SCHEMBL6165559 0.70 SMN1; SMN2 (0.40) ALDH1A1MAPTKDM4EHPGDIAPP

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 ALDH1A1 209/4885MAPT 4056/4885KDM4E 4579/4885
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides AADAC, DDT, AADAT ALDH1A1 713/4885MAPT 526/4885KDM4E 969/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 ALDH1A1 209/4885MAPT 4056/4885KDM4E 4579/4885

“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.