SCHEMBL125152

SCHEMBL125152

CCOC(=O)c1cc2cc(F)c(NC3CC3)nc2nc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
MAPT P10636 2/20 0.46
P2RY12 Q9H244 9/20 0.43
IDO1 P14902 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
ALDH1A1 P00352 4/20 0.43
NPSR1 Q6W5P4 3/20 0.42
NR2F2 P24468 2/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
S1PR2 O95136 1/20 0.41
LMNA P02545 1/20 0.41
XBP1 P17861 1/20 0.41
RAB9A P51151 1/20 0.41
PPP1CA P62136 1/20 0.41
KMT2A Q03164 1/20 0.41
ACACB O00763 1/20 0.41

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
SCHEMBL123080 0.86 KDM4E (0.47) KDM4EMAPTP2RY12IDO1ALDH1A1
SCHEMBL126894 0.85 KDM4E (0.48) KDM4EMAPTP2RY12IDO1ALDH1A1
SCHEMBL124994 0.83 ROCK2 (0.43) ROCK2ROCK1
SCHEMBL125506 0.83 KDM4E (0.45) KDM4EMAPTP2RY12IDO1ALDH1A1
SCHEMBL125884 0.82 KDM4E (0.46) KDM4EMAPTP2RY12IDO1ALDH1A1
SCHEMBL125222 0.81 KDM4E (0.51) KDM4EMAPTP2RY12IDO1ALDH1A1
SCHEMBL169958 0.80 ALDH1A1 (0.47) KDM4EMAPTP2RY12IDO1ALDH1A1
SCHEMBL124890 0.80 KDM4E (0.50) KDM4EMAPTP2RY12IDO1ALDH1A1
SCHEMBL125416 0.79 KDM4E (0.50) KDM4EMAPTP2RY12IDO1ALDH1A1
SCHEMBL124372 0.79 KDM4E (0.49) KDM4EMAPTP2RY12IDO1ALDH1A1

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 KDM4E 1231/4885MAPT 4399/4885P2RY12 3396/4885

“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.