SCHEMBL30185200

SCHEMBL30185200

COC(=O)c1nc(-c2ccc(OC(F)(F)F)cc2)c(F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 7/20 0.46
▸ ADORA3 P0DMS8 1/20 0.43
▸ AKR1C2 P52895 1/20 0.43
▸ AKR1C1 Q04828 1/20 0.43
▸ DHODH Q02127 2/20 0.42
▸ TRPV1 Q8NER1 1/20 0.41
▸ SCN2A Q99250 1/20 0.41
▸ CHRNA7 P36544 1/20 0.40
▸ ABL1 P00519 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL24985614 1.00 SCN10A (0.46) SCN10AADORA3AKR1C2AKR1C1DHODH
SCHEMBL24987028 0.89 KDM4E (0.46) —
SCHEMBL24987852 0.86 PLAU (0.43) ADORA3DHODHTRPV1
SCHEMBL24985135 0.86 SCN9A (0.44) —
SCHEMBL30185124 0.86 SMN1; SMN2 (0.46) DHODHL3MBTL1
SCHEMBL24985134 0.86 SMN1; SMN2 (0.47) DHODH
SCHEMBL24985136 0.86 SMN1; SMN2 (0.46) DHODHL3MBTL1
SCHEMBL24985102 0.86 FFAR4 (0.45) ABL1L3MBTL1
SCHEMBL24984427 0.86 FFAR4 (0.40) —
SCHEMBL30185193 0.86 FFAR4 (0.40) —

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 SCN10A 4501/4885ADORA3 498/4885AKR1C2 1277/4885

“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.

Send feedback