SCHEMBL25106949

SCHEMBL25106949

CCS(=O)(=O)c1c(-c2nc3cc(S(=O)(=O)C(F)(F)F)cnc3n2C)ncc2c(Br)cccc12

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ POLB P06746 1/20 0.30
▸ NR1H2 P55055 1/20 0.30
▸ NR1H3 Q13133 1/20 0.30
▸ BRD4 O60885 1/20 0.30

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
SCHEMBL25106815 0.88 POLB (0.40) POLBNR1H2NR1H3
SCHEMBL25106709 0.86 POLB (0.34) POLBNR1H2NR1H3
SCHEMBL25106820 0.85 LMNA (0.35) LMNAHTTSMN1; SMN2POLB
SCHEMBL25106814 0.85 NR1H2 (0.33) NR1H2NR1H3
SCHEMBL25106842 0.83 NR1H2 (0.32) NR1H2NR1H3
SCHEMBL25106952 0.80 NR1H2 (0.33) NR1H2NR1H3
SCHEMBL25106845 0.79 NR1H2 (0.32) NR1H2NR1H3
SCHEMBL25106694 0.78 POLB (0.41) POLBNR1H2NR1H3
SCHEMBL14677115 0.77 LMNA (0.38) LMNAHTTSMN1; SMN2POLBBRD4
SCHEMBL29431631 0.77 LMNA (0.38) LMNAHTTSMN1; SMN2POLBBRD4

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-20230060425-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-03-02 — — 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-20230060425-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, CBR1, CBR3 LMNA 1965/4885HTT 1154/4885SMN1; SMN2 3634/4885

“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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