SCHEMBL125059

SCHEMBL125059

COCc1ccc(C=O)c(NC(=O)C(C)(C)C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
PAX8 Q06710 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 6/20 0.35
MAPT P10636 5/20 0.33
ALDH1A1 P00352 4/20 0.33
LMNA P02545 3/20 0.33
ALOX12 P18054 1/20 0.33
TP53 P04637 1/20 0.33
HSD17B10 Q99714 2/20 0.33
ADORA1 P30542 1/20 0.33
F2 P00734 1/20 0.33
HTT P42858 2/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL14984329 0.81 BRD4 (0.43) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL123585 0.77 L3MBTL1 (0.42) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL247107 0.76 L3MBTL1 (0.41) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL29951599 0.76 L3MBTL1 (0.41) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL29950915 0.76 L3MBTL1 (0.41) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL2209190 0.76 L3MBTL1 (0.41) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL16790819 0.74 L3MBTL1 (0.39) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL124547 0.72 CYP1A2 (0.44) SMN1; SMN2NPC1RAB9AL3MBTL1KDM4E
SCHEMBL5678973 0.70 ALDH1A1 (0.49) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL247076 0.69 L3MBTL1 (0.39) NPC1RAB9AL3MBTL1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461083-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2013-06-11 US disclosed
US-8450243-B2 Herbicidal quinoline and 1,8-naphthyridine compounds SYNGENTA LIMITED (GB) 2013-05-28 US disclosed
EP-2417132-B1 HERBICIDAL QUINOLINE AND 1,8-NAPHTHYRIDINE COMPOUNDS SYNGENTA LTD (GB) 2013-04-17 EP disclosed
US-20120094833-A1 HERBICIDAL QUINOLINE AND 1,8 -NAPHTHYRIDINE COMPOUNDS SYNGENTA CROP PROTECTION, LLC (US) 2012-04-19 US disclosed
EP-2265120-B1 HERBICIDAL COUMPOUNDS SYNGENTA LTD (GB) 2012-03-07 EP disclosed
US-20110021352-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-27 US disclosed
EP-2265120-A1 HERBICIDAL COUMPOUNDS Syngenta Limited (GB) 2010-12-29 EP disclosed
WO-2009115788-A1 HERBICIDAL COUMPOUNDS SYNGENTA LIMITED (GB) 2009-09-24 WO 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 (2 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-20120094833-A1 HERBICIDAL QUINOLINE AND 1,8 -NAPHTHYRIDINE COMPOUNDS NQO2, QDPR, CYP4X1 SMN1; SMN2 4442/4885NPC1 3279/4885RAB9A 796/4885
US-20110021352-A1 HERBICIDAL COMPOUNDS RDX, NQO2, DDT SMN1; SMN2 4050/4885NPC1 3417/4885RAB9A 431/4885

“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.