SCHEMBL125580

SCHEMBL125580

CCOC(=O)c1cc2ccc(OCC)nc2nc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
NPSR1 Q6W5P4 2/20 0.50
IDO1 P14902 1/20 0.48
MAPT P10636 1/20 0.46
ALDH1A1 P00352 5/20 0.43
HPGD P15428 1/20 0.42
NFKB1 P19838 3/20 0.41
JUN P05412 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
TSHR P16473 1/20 0.41
ATF1 P18846 1/20 0.39
P2RY12 Q9H244 4/20 0.39

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
SCHEMBL27838050 0.90 KDM4E (0.50) KDM4ENPSR1IDO1MAPTALDH1A1
SCHEMBL124869 0.88 MAPT (0.40) KDM4ENPSR1IDO1MAPTALDH1A1
SCHEMBL125663 0.86 KDM4E (0.53) KDM4ENPSR1IDO1MAPTALDH1A1
SCHEMBL128050 0.85 KDM4E (0.48) KDM4ENPSR1IDO1MAPTALDH1A1
SCHEMBL127103 0.85 IDO1 (0.53) KDM4ENPSR1IDO1MAPTALDH1A1
SCHEMBL123322 0.84 KDM4E (0.53) KDM4ENPSR1IDO1MAPTALDH1A1
SCHEMBL122615 0.84 KDM4E (0.51) KDM4ENPSR1IDO1MAPTALDH1A1
SCHEMBL30813138 0.84 KDM4E (0.53) KDM4ENPSR1IDO1MAPTALDH1A1
SCHEMBL123367 0.83 KDM4E (0.53) KDM4ENPSR1IDO1MAPTALDH1A1
SCHEMBL123713 0.83 KDM4E (0.50) KDM4ENPSR1IDO1MAPTALDH1A1

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 3 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
US-20110021352-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-27 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-20110021352-A1 HERBICIDAL COMPOUNDS RDX, NQO2, DDT KDM4E 1231/4885NPSR1 683/4885IDO1 948/4885

“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.