SCHEMBL3324575

SCHEMBL3324575

COC(=O)c1nc(-c2occ3ccccc23)cc(N)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.39
NQO2 P16083 1/20 0.38
CFTR P13569 2/20 0.36
STAT3 P40763 1/20 0.36
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 7/20 0.36
HPGD P15428 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HSD17B10 Q99714 2/20 0.36
PKM P14618 3/20 0.35
RCE1 Q9Y256 1/20 0.35
ABL1 P00519 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.34
PLIN1 O60240 1/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL3329195 0.85 KDM4E (0.36) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL3330048 0.84 KDM4E (0.40) KDM4ESTAT3HIF1AALDH1A1HPGD
SCHEMBL2468427 0.79 ALDH1A1 (0.50) KDM4ENQO2ALDH1A1HPGDSMN1; SMN2
SCHEMBL3328983 0.78 KDM4E (0.41) KDM4ENQO2CFTRSTAT3HIF1A
SCHEMBL9939744 0.78 ALDH1A1 (0.43) KDM4ENQO2CFTRALDH1A1HPGD
SCHEMBL2468832 0.77 CFTR (0.54) KDM4ECFTRALDH1A1HPGDSMN1; SMN2
SCHEMBL2464642 0.77 ALPL (0.52) KDM4ENQO2ALDH1A1HPGDSMN1; SMN2
SCHEMBL2471049 0.77 KDM4E (0.45) KDM4EALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL3329032 0.77 ALDH1A1 (0.48) KDM4ENQO2ALDH1A1HPGDSMN1; SMN2
SCHEMBL3330056 0.77 PRKDC (0.44) KDM4ENQO2ALDH1A1HPGDSMN1; SMN2

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 6 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
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 KDM4E 4579/4885NQO2 117/4885CFTR 1910/4885
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides AADAC, DDT, AADAT KDM4E 969/4885NQO2 995/4885CFTR 4160/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 KDM4E 4579/4885NQO2 117/4885CFTR 1910/4885

“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.