SCHEMBL3327634

SCHEMBL3327634

COC(=O)c1nc(-c2scc3ccccc23)cc(NC(C)=O)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 4/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 2/20 0.39
ESRRA P11474 2/20 0.39
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
ABL1 P00519 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.35
RCE1 Q9Y256 1/20 0.35
NQO2 P16083 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
HPGD P15428 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
SCHEMBL3328983 0.84 KDM4E (0.41) ALDH1A1KDM4EKMT2AMEN1PKM
SCHEMBL3330048 0.79 KDM4E (0.40) ALDH1A1KDM4EKMT2AMEN1ESRRA
SCHEMBL2469334 0.77 KDM4E (0.42) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL3326161 0.77 MAPT (0.42) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL2467820 0.76 ADORA2A (0.53) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL2470090 0.75 RAB9A (0.51) ALDH1A1KDM4EKMT2AMEN1PKM
SCHEMBL2469495 0.75 ADORA3 (0.53) ALDH1A1KDM4EKMT2AMEN1PKM
SCHEMBL2468338 0.74 PKM (0.47) ALDH1A1KDM4EKMT2AMEN1PKM
SCHEMBL3329762 0.74 ALDH1A1 (0.41) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL2467108 0.74 ADORA3 (0.53) ALDH1A1KDM4EKMT2AMEN1PKM

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 ALDH1A1 209/4885KDM4E 4579/4885KMT2A 1867/4885
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides AADAC, DDT, AADAT ALDH1A1 713/4885KDM4E 969/4885KMT2A 344/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 ALDH1A1 209/4885KDM4E 4579/4885KMT2A 1867/4885

“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.