SCHEMBL30185193

SCHEMBL30185193

COC(=O)c1nc(-c2ccc(OC(F)(F)F)cc2Cl)c(F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 3/20 0.40
▸ PTGES O14684 1/20 0.39
▸ SMURF1 Q9HCE7 1/20 0.38
▸ P2RX7 Q99572 2/20 0.37
▸ CRHR1 P34998 2/20 0.37
▸ PDE2A O00408 2/20 0.37
▸ KIT P10721 1/20 0.37
▸ CDC7 O00311 1/20 0.37
▸ DBF4 Q9UBU7 1/20 0.37
▸ SCN5A Q14524 2/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ CACNA1C Q13936 1/20 0.37
▸ GPBAR1 Q8TDU6 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
SCHEMBL24984427 1.00 FFAR4 (0.40) FFAR4PTGESSMURF1P2RX7CRHR1
SCHEMBL30185210 0.93 FFAR4 (0.45) FFAR4PTGESP2RX7CRHR1PDE2A
SCHEMBL24985102 0.93 FFAR4 (0.45) FFAR4PTGESP2RX7CRHR1PDE2A
SCHEMBL24986581 0.91 CRHR1 (0.47) FFAR4P2RX7CRHR1SCN9AKCNH2
SCHEMBL30185245 0.91 CRHR1 (0.47) FFAR4P2RX7CRHR1SCN9AKCNH2
SCHEMBL24984517 0.88 CRHR1 (0.48) PTGESP2RX7CRHR1CDC7DBF4
SCHEMBL30185106 0.88 CRHR1 (0.48) PTGESP2RX7CRHR1CDC7DBF4
SCHEMBL30185200 0.86 SCN10A (0.46) —
SCHEMBL24985614 0.86 SCN10A (0.46) —
SCHEMBL22366934 0.85 NPSR1 (0.43) CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF DOW AGROSCIENCES LLC (US) 2023-01-19 — — US 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-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF PDXK, DPYD, DDT FFAR4 1817/4885PTGES 1890/4885SMURF1 4863/4885

“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.

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