SCHEMBL25106930

SCHEMBL25106930

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ PTGS2 P35354 1/20 0.33
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ SCN9A Q15858 3/20 0.31
▸ CHRNA7 P36544 1/20 0.31
▸ KCNH2 Q12809 2/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ CYP17A1 P05093 2/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ SCN7A Q01118 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ TRPV1 Q8NER1 1/20 0.30
▸ ACACB O00763 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
SCHEMBL25106847 0.94 POLB (0.36) POLB
SCHEMBL25106719 0.92 POLB (0.42) POLBSCN9ACHRNA7CYP2C9ALDH1A1
SCHEMBL18819868 0.89 POLB (0.43) POLBGRIN1GRIN2BKCNH2HRH3
SCHEMBL25106710 0.88 POLB (0.34) POLB
SCHEMBL25106704 0.88 POLB (0.42) POLBGRIN1GRIN2BALDH1A1LMNA
SCHEMBL25106702 0.87 POLB (0.41) POLBPTGS2KCNH2ALDH1A1LMNA
SCHEMBL25106936 0.86 POLB (0.41) POLBCYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL25106687 0.86 POLB (0.41) POLBCYP2C9CYP2C19ALDH1A1
SCHEMBL18819841 0.85 POLB (0.43) POLBPTGS2GRIN1GRIN2BALDH1A1
SCHEMBL25106953 0.85 POLB (0.42) POLBALDH1A1LMNA

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 3767/4885PTGS2 3873/4885GRIN1 1544/4885

“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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