SCHEMBL3326183

SCHEMBL3326183

COC(=O)c1nc(-c2cccc(Cl)c2)cc(N)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.47
ATR Q13535 1/20 0.46
SLC6A3 Q01959 4/20 0.45
SLC6A2 P23975 1/20 0.44
ABL1 P00519 2/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
IKBKB O14920 1/20 0.42
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TACR3 P29371 1/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KMO O15229 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
PTGER4 P35408 1/20 0.41

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
SCHEMBL2465915 0.89 ATR (0.46) ATRALDH1A1KDM4ESMN1; SMN2PKM
SCHEMBL2468427 0.88 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; SMN2PKML3MBTL1
SCHEMBL2467723 0.88 MAPT (0.51) ATRALDH1A1KDM4ESMN1; SMN2IKBKB
SCHEMBL3329032 0.86 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2PKML3MBTL1
SCHEMBL2469806 0.85 KDM4E (0.54) ATRSLC6A3ABL1ALDH1A1KDM4E
SCHEMBL2464805 0.84 ATR (0.47) ATR
SCHEMBL2467622 0.84 KMO (0.51) CNR2ATRIKBKBL3MBTL1KMO
SCHEMBL2467816 0.84 CFTR (0.49) ATRABL1ALDH1A1KDM4E
SCHEMBL2464642 0.84 ALPL (0.52) SLC6A3SLC6A2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL22366873 0.83 KDM4E (0.49) ABL1ALDH1A1KDM4ESMN1; SMN2PKM

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 9 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
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 CNR2 1857/4885ATR 2098/4885SLC6A3 572/4885
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides AADAC, DDT, AADAT CNR2 717/4885ATR 2425/4885SLC6A3 36/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 CNR2 1857/4885ATR 2098/4885SLC6A3 572/4885

“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.