SCHEMBL17596172

SCHEMBL17596172

O=C(O)c1cc(C(F)(F)F)c(-c2ccccc2)c2ncc(F)cc12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 9/20 0.48
NR1H3 Q13133 9/20 0.48
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
DHODH Q02127 3/20 0.41
FABP4 P15090 1/20 0.41
EPRS1 P07814 1/20 0.40
ASPH Q12797 1/20 0.40
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TACR1 P25103 1/20 0.36
GABRA5 P31644 1/20 0.36

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
SCHEMBL17596173 0.75 CYP2C9 (0.44) NR1H2NR1H3CYP2C9CYP2C19DHODH
SCHEMBL17596454 0.73 NR1H2 (0.46) NR1H2NR1H3CYP2C9CYP2C19DHODH
SCHEMBL1124262 0.73 NR1H2 (0.79) NR1H2NR1H3FABP4
SCHEMBL1124099 0.72 NR1H2 (0.73) NR1H2NR1H3ALDH1A1
SCHEMBL1125459 0.68 NR1H2 (0.83) NR1H2NR1H3ALDH1A1
SCHEMBL27673920 0.68 NR1H2 (0.88) NR1H2NR1H3
SCHEMBL1125727 0.67 NR1H2 (0.87) NR1H2NR1H3CYP2C9CYP2C19ALDH1A1
SCHEMBL24525171 0.67 ASPH (0.39) CYP2C9DHODHASPHKMT2AGABRA5
SCHEMBL24525494 0.67 ASPH (0.39) DHODHASPHGABRA5
SCHEMBL6703940 0.66 FABP4 (0.70) NR1H2NR1H3DHODHFABP4ALDH1A1

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
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 NR1H2 2118/4885NR1H3 2267/4885CYP2C9 593/4885

“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.