SCHEMBL125869

SCHEMBL125869

CCOC(=O)c1cc2ccc(N3CCOCC3)nc2nc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.52
USP2 O75604 1/20 0.52
TP53 P04637 1/20 0.52
MAPK1 P28482 1/20 0.52
RECQL P46063 1/20 0.52
PIK3CA P42336 1/20 0.49
ALDH1A1 P00352 4/20 0.46
IDO1 P14902 1/20 0.44
CNR2 P34972 1/20 0.44
ALOX15 P16050 1/20 0.44
PKM P14618 1/20 0.44
KDM4E B2RXH2 5/20 0.44
NPSR1 Q6W5P4 3/20 0.44
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
DGAT1 O75907 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
P2RY12 Q9H244 3/20 0.42
POLB P06746 1/20 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
SCHEMBL124680 0.84 PKM (0.47) PIK3CAPKMKDM4ENPSR1DGAT1
SCHEMBL125193 0.83 ALDH1A1 (0.50) HSD17B10USP2TP53MAPK1RECQL
SCHEMBL125663 0.79 KDM4E (0.53) ALDH1A1IDO1KDM4ENPSR1HPGD
SCHEMBL127103 0.78 IDO1 (0.53) ALDH1A1IDO1KDM4ENPSR1HPGD
SCHEMBL122615 0.77 KDM4E (0.51) ALDH1A1IDO1KDM4ENPSR1HPGD
SCHEMBL125580 0.76 KDM4E (0.52) ALDH1A1IDO1KDM4ENPSR1HPGD
SCHEMBL27838050 0.76 KDM4E (0.50) ALDH1A1IDO1KDM4ENPSR1HPGD
SCHEMBL123713 0.76 KDM4E (0.50) ALDH1A1IDO1KDM4ENPSR1HPGD
SCHEMBL123367 0.76 KDM4E (0.53) ALDH1A1IDO1KDM4ENPSR1HPGD
SCHEMBL123290 0.75 KDM4E (0.49) ALDH1A1IDO1KDM4ENPSR1HPGD

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 4 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

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 HSD17B10 2099/4885USP2 3612/4885TP53 3598/4885

“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.