SCHEMBL169958

SCHEMBL169958

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 5/20 0.43
MAPT P10636 2/20 0.43
IDO1 P14902 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
PTGER4 P35408 2/20 0.38
P2RY12 Q9H244 6/20 0.37
NFKB1 P19838 2/20 0.37
ATF1 P18846 1/20 0.37
JUN P05412 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
RAB9A P51151 1/20 0.36
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL126894 0.88 KDM4E (0.48) ALDH1A1KDM4EMAPTIDO1NPSR1
SCHEMBL124481 0.87 USP2 (0.35) ALDH1A1PTGER4NFKB1ATF1CYP1A2
SCHEMBL125506 0.86 KDM4E (0.45) ALDH1A1KDM4EMAPTIDO1NPSR1
SCHEMBL123080 0.85 KDM4E (0.47) ALDH1A1KDM4EMAPTIDO1NPSR1
SCHEMBL125152 0.80 KDM4E (0.46) ALDH1A1KDM4EMAPTIDO1NPSR1
SCHEMBL125222 0.80 KDM4E (0.51) ALDH1A1KDM4EMAPTIDO1NPSR1
SCHEMBL125598 0.79 KDM4E (0.48) ALDH1A1KDM4EMAPTIDO1NPSR1
SCHEMBL124890 0.79 KDM4E (0.50) ALDH1A1KDM4EMAPTIDO1NPSR1
SCHEMBL125042 0.79 KDM4E (0.42) ALDH1A1KDM4EMAPTIDO1NPSR1
SCHEMBL125416 0.78 KDM4E (0.50) ALDH1A1KDM4EMAPTIDO1NPSR1

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 677/4885KDM4E 1231/4885MAPT 4399/4885

“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.