SCHEMBL17596454

SCHEMBL17596454

O=C(O)c1c(F)cnc2c(-c3ccccc3)c(C(F)(F)F)ccc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 9/20 0.46
NR1H3 Q13133 9/20 0.46
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
FABP4 P15090 1/20 0.40
DHODH Q02127 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP11B2 P19099 1/20 0.36
KMO O15229 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
LDHA P00338 1/20 0.34

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
SCHEMBL17596172 0.73 NR1H2 (0.48) NR1H2NR1H3CYP2C9CYP2C19FABP4
SCHEMBL1124262 0.68 NR1H2 (0.79) NR1H2NR1H3FABP4
SCHEMBL23858857 0.68 GAA (0.43) DHODHLMNA
SCHEMBL24338810 0.67 PDE10A (0.49) CYP2C19DHODHALDH1A1LMNA
SCHEMBL6641523 0.66 FABP4 (0.43) NR1H2NR1H3FABP4DHODHALDH1A1
SCHEMBL1126794 0.66 NR1H2 (0.77) NR1H2NR1H3
SCHEMBL23858343 0.66 CA12 (0.53)
SCHEMBL6681673 0.66 FABP4 (0.47) FABP4LMNAHDAC6
SCHEMBL27673920 0.66 NR1H2 (0.88) NR1H2NR1H3
SCHEMBL31336614 0.64 FABP4 (0.55) NR1H2NR1H3FABP4ALDH1A1LDHA

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.