SCHEMBL2471049

SCHEMBL2471049

COC(=O)c1nc(-c2cc3ccccc3o2)cc(N)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 4/20 0.44
CASP3 P42574 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
TP53 P04637 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
RAB9A P51151 6/20 0.44
NPC1 O15118 5/20 0.44
SLC6A3 Q01959 1/20 0.43
TACR3 P29371 1/20 0.42
GRM4 Q14833 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SIRT6 Q8N6T7 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ALPL P05186 1/20 0.41
POLB P06746 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
SCHEMBL2468804 0.85 KDM4E (0.48) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL2470090 0.83 RAB9A (0.51) KDM4EALDH1A1HPGDMAPTCASP3
SCHEMBL2468832 0.80 CFTR (0.54) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL2468427 0.79 ALDH1A1 (0.50) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL9939744 0.78 ALDH1A1 (0.43) KDM4EALDH1A1HPGDMAPTTP53
SCHEMBL2468806 0.78 MAPT (0.45) KDM4EALDH1A1MAPTCASP3SENP7
SCHEMBL2464642 0.77 ALPL (0.52) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL3324575 0.77 KDM4E (0.39) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL3330056 0.77 PRKDC (0.44) KDM4EALDH1A1HPGDMAPTTP53
SCHEMBL3329032 0.77 ALDH1A1 (0.48) KDM4EALDH1A1HPGDMAPTTP53

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-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
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 KDM4E 4579/4885ALDH1A1 209/4885HPGD 1988/4885
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides AADAC, DDT, AADAT KDM4E 969/4885ALDH1A1 713/4885HPGD 4351/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 KDM4E 4579/4885ALDH1A1 209/4885HPGD 1988/4885

“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.