SCHEMBL123434

SCHEMBL123434

CCc1c(C(=O)O)c(C(F)(F)F)nc2nc(C)c(F)cc12

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.36
KDM4E B2RXH2 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RORC P51449 1/20 0.31
IDO1 P14902 1/20 0.30
SYK P43405 1/20 0.30

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
SCHEMBL9726384 0.74 KDM5B (0.36) DHODHKDM4ENPSR1SYK
SCHEMBL27674658 0.72 KDM4E (0.36) DHODHKDM4EIDO1
SCHEMBL126280 0.70 GFER (0.43) KDM4ENPSR1ALDH1A1
SCHEMBL27674748 0.69 DPP4 (0.31) RORC
SCHEMBL27674750 0.68 POLB (0.34) NPSR1ALDH1A1L3MBTL1
SCHEMBL3431852 0.67 DHODH (0.35) DHODHALDH1A1
SCHEMBL10556645 0.66 MAPT (0.41) DHODHNPSR1ALDH1A1L3MBTL1SYK
SCHEMBL9726295 0.66 MAPK1 (0.31) DHODH
SCHEMBL124714 0.66 GFER (0.41) DHODHKDM4ENPSR1IDO1
SCHEMBL125222 0.66 KDM4E (0.51) KDM4ENPSR1ALDH1A1L3MBTL1IDO1

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 DHODH 295/4885KDM4E 1231/4885NPSR1 683/4885

“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.