SCHEMBL2139058

SCHEMBL2139058

COC(=O)c1nc(Cl)cc(NCc2ccccc2OC)c1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 1/20 0.49
KDM4E B2RXH2 3/20 0.47
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
ABL1 P00519 1/20 0.47
SRC P12931 1/20 0.47
ASPH Q12797 1/20 0.47
KDM8 Q8N371 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
GAA P10253 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL2137055 0.89 HDAC8 (0.46) KCNN3KDM4EABL1SRCHDAC3
SCHEMBL2137639 0.89 BCHE (0.49) KCNN3KDM4EBCHEACHEABL1
SCHEMBL2136399 0.88 ABL1 (0.46) KCNN3KDM4EABL1SRCGAA
SCHEMBL2599620 0.87 KDM4C (0.50) ALDH1A1MEN1KMT2AMAPTHSD17B10
SCHEMBL14768655 0.87 KDM4C (0.42) KCNN3KDM4EBCHEACHEABL1
SCHEMBL2137867 0.87 SMN1; SMN2 (0.41) KDM4EABL1SRCGAAL3MBTL1
SCHEMBL2136420 0.84 KCNN3 (0.47) KCNN3KDM4EBCHEACHEABL1
SCHEMBL2136582 0.84 HTT (0.49) KDM4EGAAL3MBTL1ALDH1A1MEN1
SCHEMBL2137279 0.84 ABL1 (0.49) KDM4EABL1SRCHDAC3HDAC1
SCHEMBL2132573 0.84 CA1 (0.45) KCNN3KDM4EHDAC1HDAC6GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445884-B1 4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES SYNGENTA LTD (GB) 2013-02-13 EP disclosed
US-20120100990-A1 4 -AMINOPICOLINATES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-04-26 US disclosed
US-20120100990-A1 4 -AMINOPICOLINATES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-04-26 US disclosed
US-20120100990-A1 4 -AMINOPICOLINATES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-04-26 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 (1 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-20120100990-A1 4 -AMINOPICOLINATES AND THEIR USE AS HERBICIDES DDT, DAO, NPM1 KCNN3 2241/4885KDM4E 1195/4885BCHE 717/4885

“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.