SCHEMBL17596173

SCHEMBL17596173

O=C(O)c1cc2cc(F)cnc2c(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
DHODH Q02127 6/20 0.42
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
KMO O15229 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SYK P43405 1/20 0.38
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL17596508 0.84 KDM4E (0.46) CYP2C9CYP2C19NR1H2NR1H3ALDH1A1
SCHEMBL17596120 0.83 L3MBTL1 (0.50) CYP2C9CYP2C19DHODHALDH1A1LMNA
SCHEMBL17596462 0.81 NR1H2 (0.37) CYP2C9CYP2C19DHODHNR1H2NR1H3
SCHEMBL18309310 0.80 CYP2C9 (0.41) CYP2C9CYP2C19DHODHNR1H2NR1H3
SCHEMBL20328556 0.79 CYP2C9 (0.40) CYP2C9CYP2C19DHODHNR1H2NR1H3
SCHEMBL17596172 0.75 NR1H2 (0.48) CYP2C9CYP2C19DHODHNR1H2NR1H3
SCHEMBL18309317 0.67 CYP2C9 (0.40) CYP2C9CYP2C19DHODHNR1H2NR1H3
SCHEMBL18309312 0.66 FOS (0.49) CYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL121946 0.66 XPO1 (0.42) CYP2C19DHODH
SCHEMBL1124099 0.65 NR1H2 (0.73) NR1H2NR1H3ALDH1A1

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
CN-106715425-B Herbicidal quinolines 先正达参股股份有限公司 2020-11-06 CN disclosed
EP-3191465-B1 HERBICIDAL QUINOLINES SYNGENTA PARTICIPATIONS AG (CH) 2018-12-19 EP disclosed
US-9980486-B2 Herbicidal quinolines SYNGENTA PARTICIPATIONS AG (CH) 2018-05-29 US disclosed
US-20170251670-A1 HERBICIDAL QUINOLINES SYNGENTA PARTICIPATIONS AG (CH) 2017-09-07 US disclosed
EP-3191465-A1 HERBICIDAL QUINOLINES Syngenta Participations AG (CH) 2017-07-19 EP disclosed
WO-2016038173-A1 HERBICIDAL QUINOLINES SYNGENTA PARTICIPATIONS AG (CH) 2016-03-17 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-20170251670-A1 HERBICIDAL QUINOLINES NQO2, DDT, ATP1B1 CYP2C9 593/4885CYP2C19 929/4885DHODH 318/4885

“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.