SCHEMBL2469334

SCHEMBL2469334

COC(=O)c1nc(-c2cc3ccccc3s2)cc(NC(C)=O)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
RAB9A P51151 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TP53 P04637 2/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
SLC6A3 Q01959 1/20 0.40
ADORA1 P30542 1/20 0.39
DYRK1A Q13627 1/20 0.39
TNIK Q9UKE5 1/20 0.39
GAA P10253 1/20 0.38
ACLY P53396 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
PI4KB Q9UBF8 1/20 0.37

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
SCHEMBL2470411 0.83 IKBKB (0.43) KDM4EALDH1A1MAPTRAB9AMEN1
SCHEMBL3327634 0.77 ALDH1A1 (0.40) KDM4EALDH1A1MAPTLMNARAB9A
SCHEMBL2470090 0.76 RAB9A (0.51) KDM4EALDH1A1MAPTLMNARAB9A
SCHEMBL2469495 0.76 ADORA3 (0.53) KDM4EALDH1A1MAPTLMNARAB9A
SCHEMBL3330048 0.75 KDM4E (0.40) KDM4EALDH1A1MAPTLMNARAB9A
SCHEMBL3329762 0.75 ALDH1A1 (0.41) KDM4EALDH1A1MAPTLMNARAB9A
SCHEMBL3326378 0.75 ALDH1A1 (0.43) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL2467108 0.75 ADORA3 (0.53) KDM4EALDH1A1MAPTRAB9AMEN1
SCHEMBL1946343 0.74 IKBKB (0.43) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL2467820 0.74 ADORA2A (0.53) KDM4EALDH1A1MAPTLMNAMEN1

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

“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.