SCHEMBL123349

SCHEMBL123349

CCOC(=O)c1cc2cc(F)c(C)nc2nc1C(F)(F)I

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
KDM4E B2RXH2 7/20 0.41
IDO1 P14902 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
ACHE P22303 2/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 1/20 0.35
JMJD6 Q6NYC1 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
SCHEMBL125222 0.90 KDM4E (0.51) TSHRKDM4EIDO1NPSR1ACHE
SCHEMBL125211 0.87 TSHR (0.43) TSHRKDM4EIDO1NPSR1ACHE
SCHEMBL129012 0.85 TSHR (0.41) TSHRKDM4EIDO1NPSR1ACHE
SCHEMBL122914 0.84 KDM4E (0.40) TSHRKDM4EIDO1NPSR1ACHE
SCHEMBL125322 0.84 TSHR (0.40) TSHRKDM4EIDO1NPSR1ACHE
SCHEMBL3432223 0.83 GFER (0.34) KDM4EALDH1A1KMT2A
SCHEMBL127100 0.82 TSHR (0.39) TSHRKDM4EIDO1NPSR1ACHE
SCHEMBL124890 0.79 KDM4E (0.50) TSHRKDM4EIDO1NPSR1ALDH1A1
SCHEMBL124372 0.78 KDM4E (0.49) TSHRKDM4EIDO1NPSR1ALDH1A1
SCHEMBL125416 0.78 KDM4E (0.50) TSHRKDM4EIDO1NPSR1ALDH1A1

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 5 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
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 TSHR 1704/4885KDM4E 1231/4885IDO1 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.