SCHEMBL128050

SCHEMBL128050

CCOC(=O)c1cc2ccc(Oc3ccccc3)nc2nc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
POLB P06746 1/20 0.46
CYP2C9 P11712 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
IDO1 P14902 1/20 0.44
F10 P00742 1/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTT P42858 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
P2RY12 Q9H244 3/20 0.42

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 0.85 KDM4E (0.50) KDM4ENPSR1IDO1ALDH1A1SMN1; SMN2
SCHEMBL125580 0.85 KDM4E (0.52) KDM4ENPSR1IDO1ALDH1A1MAPT
SCHEMBL124068 0.85 MAPT (0.39) KDM4EF10ALDH1A1MAPTHPGD
SCHEMBL125663 0.81 KDM4E (0.53) KDM4ENPSR1IDO1ALDH1A1MAPT
SCHEMBL127103 0.80 IDO1 (0.53) KDM4ENPSR1IDO1ALDH1A1MAPT
SCHEMBL30813138 0.79 KDM4E (0.53) KDM4ENPSR1IDO1ALDH1A1MAPT
SCHEMBL123322 0.79 KDM4E (0.53) KDM4ENPSR1IDO1ALDH1A1MAPT
SCHEMBL122615 0.79 KDM4E (0.51) KDM4ENPSR1IDO1ALDH1A1MAPT
SCHEMBL123367 0.78 KDM4E (0.53) KDM4ENPSR1IDO1ALDH1A1MAPT
SCHEMBL123713 0.78 KDM4E (0.50) KDM4ENPSR1CYP1A2IDO1ALDH1A1

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 683/4885L3MBTL1 2024/4885

“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.