SCHEMBL25106952

SCHEMBL25106952

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)ncc2c(Br)cccc12

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 6/20 0.33
▸ NR1H3 Q13133 5/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ RORC P51449 3/20 0.32
▸ CA12 O43570 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ PTGS2 P35354 3/20 0.31
▸ PTGER4 P35408 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ DHODH Q02127 1/20 0.30
▸ PTGS1 P23219 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
SCHEMBL25106845 0.93 NR1H2 (0.32) NR1H2NR1H3KCNH2RORCCA12
SCHEMBL25106951 0.90 NR1H2 (0.39) NR1H2NR1H3KCNH2RORCNPC1
SCHEMBL18819839 0.87 PTGS2 (0.37) NR1H2NR1H3KCNH2RORCCA12
SCHEMBL25106814 0.86 NR1H2 (0.33) NR1H2NR1H3KCNH2RORCPTGS2
SCHEMBL25106846 0.84 NR1H2 (0.39) NR1H2NR1H3KCNH2RORC
SCHEMBL18819855 0.83 NPC1 (0.35) NR1H2NR1H3KCNH2RORCCA12
SCHEMBL25106815 0.82 POLB (0.40) NR1H2NR1H3RORCNPC1RAB9A
SCHEMBL25106842 0.81 NR1H2 (0.32) NR1H2NR1H3
SCHEMBL19806353 0.81 KCNH2 (0.33) KCNH2RORCNPC1RAB9APTGS2
SCHEMBL25106949 0.80 LMNA (0.34) NR1H2NR1H3

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 NR1H2 1088/4885NR1H3 1362/4885KCNH2 683/4885

“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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