SCHEMBL25106953

SCHEMBL25106953

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)ncc2cc(SCC(F)(F)F)ccc12

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.31
▸ PKM P14618 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ PDE10A Q9Y233 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
SCHEMBL18819868 0.88 POLB (0.43) POLBPDE10A
SCHEMBL25106704 0.87 POLB (0.42) POLBALDH1A1PKMLMNAGAA
SCHEMBL25106713 0.87 POLB (0.34) POLB
SCHEMBL25106702 0.87 POLB (0.41) POLBALDH1A1LMNAGAAMAPT
SCHEMBL25106687 0.86 POLB (0.41) POLBALDH1A1HTT
SCHEMBL25106936 0.86 POLB (0.41) POLBALDH1A1PKMLMNAGAA
SCHEMBL25106930 0.85 POLB (0.41) POLBALDH1A1LMNA
SCHEMBL25106816 0.85 POLB (0.42) POLBPDE10A
SCHEMBL18819841 0.85 POLB (0.43) POLBALDH1A1PKMLMNAHTT
SCHEMBL25106719 0.84 POLB (0.42) POLBALDH1A1LMNAMAPTNPSR1

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 POLB 3767/4885ALDH1A1 440/4885PKM 3425/4885

“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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