SCHEMBL125193

SCHEMBL125193

CCOC(=O)c1cc2cc(F)c(N3CCOCC3)nc2nc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 2/20 0.47
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
P2RY12 Q9H244 12/20 0.46
KDM4E B2RXH2 3/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
IDO1 P14902 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL124782 0.85 ALDH1A1 (0.46) ALDH1A1P2RY12KDM4EIDO1NPSR1
SCHEMBL124475 0.84 GLA (0.40) ALDH1A1KDM4E
SCHEMBL125566 0.83 ACACB (0.46) ALDH1A1P2RY12KDM4EIDO1NPSR1
SCHEMBL125869 0.83 HSD17B10 (0.52) ALDH1A1ALOX15HSD17B10USP2TP53
SCHEMBL125222 0.79 KDM4E (0.51) ALDH1A1P2RY12KDM4EHPGDL3MBTL1
SCHEMBL124890 0.78 KDM4E (0.50) ALDH1A1P2RY12KDM4EHPGDL3MBTL1
SCHEMBL124372 0.77 KDM4E (0.49) ALDH1A1HSD17B10P2RY12KDM4EHPGD
SCHEMBL125416 0.77 KDM4E (0.50) ALDH1A1HSD17B10P2RY12KDM4EHPGD
SCHEMBL125769 0.76 KDM4E (0.48) ALDH1A1HSD17B10P2RY12KDM4EHPGD
SCHEMBL125598 0.76 KDM4E (0.48) ALDH1A1HSD17B10P2RY12KDM4EHPGD

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-8461083-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2013-06-11 US disclosed
EP-2265120-B1 HERBICIDAL COUMPOUNDS SYNGENTA LTD (GB) 2012-03-07 EP disclosed
CN-102006777-A Herbicidal coumpounds SYNGENTA LTD 2011-04-06 CN 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 (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-20110021352-A1 HERBICIDAL COMPOUNDS RDX, NQO2, DDT ALDH1A1 677/4885ALOX15 4339/4885HSD17B10 2099/4885

“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.