SCHEMBL26091032

SCHEMBL26091032

COC(=O)c1cc(O)c(I)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.58
▸ KDM4E B2RXH2 4/20 0.58
▸ XDH P47989 2/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58
▸ POLB P06746 1/20 0.58
▸ GAA P10253 1/20 0.58
▸ NFKB1 P19838 1/20 0.58
▸ GFER P55789 1/20 0.58
▸ NFKB2 Q00653 1/20 0.58
▸ RELA Q04206 1/20 0.58
▸ FUT7 Q11130 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ CA12 O43570 3/20 0.50
▸ CA1 P00915 3/20 0.50
▸ CA2 P00918 3/20 0.50
▸ CA7 P43166 3/20 0.50
▸ CA9 Q16790 3/20 0.50
▸ CA14 Q9ULX7 3/20 0.50
▸ TPMT P51580 2/20 0.49
▸ CNR2 P34972 2/20 0.47

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
SCHEMBL10645157 0.91 CA1 (0.54) LMNAKDM4EXDHTDP1POLB
SCHEMBL6872746 0.87 LMNA (0.69) LMNAKDM4EXDHTDP1POLB
SCHEMBL1420175 0.81 LMNA (0.74) LMNAKDM4EXDHTDP1POLB
SCHEMBL9944141 0.80 LMNA (0.60) LMNAKDM4EXDHTDP1POLB
SCHEMBL6066762 0.79 LMNA (0.69) LMNAKDM4EXDHTDP1POLB
SCHEMBL282150 0.79 KDM4E (0.63) LMNAKDM4EXDHTDP1POLB
SCHEMBL25114613 0.79 GAA (0.58) LMNAKDM4EXDHTDP1POLB
SCHEMBL2961959 0.79 KDM4E (0.58) LMNAKDM4EXDHTDP1POLB
SCHEMBL28343949 0.79 LMNA (0.58) LMNAKDM4EXDHTDP1POLB
SCHEMBL10322876 0.79 KDM4E (0.53) LMNAKDM4EXDHTDP1POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4419532-A1 FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS F. Hoffmann-La Roche AG (CH) 2024-08-28 — — EP disclosed
US-20240279237-A1 FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2024-08-22 — — US disclosed
CN-118119626-A Fused bicyclic heteroaryl compounds useful as NLRP3 inhibitors 豪夫迈·罗氏有限公司 2024-05-31 — — CN disclosed
WO-2023066825-A1 FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-27 — — WO 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-20240279237-A1 FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS NLRP3, NOD1, NLRP1 LMNA 343/4885KDM4E 3638/4885XDH 213/4885

“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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