SCHEMBL21698072

SCHEMBL21698072

CCCn1cc[n+](Cc2cc(OC)cc(OC)c2)c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 9/20 0.57
▸ CA2 P00918 9/20 0.57
▸ EEF2K O00418 2/20 0.49
▸ EEF2 P13639 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ PLK4 O00444 1/20 0.49
▸ JAK2 O60674 1/20 0.49
▸ EGFR P00533 1/20 0.49
▸ TYK2 P29597 1/20 0.49
▸ FLT3 P36888 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ITK Q08881 1/20 0.49
▸ PIM2 Q9P1W9 1/20 0.49
▸ GRM2 Q14416 3/20 0.33
▸ PABPC1 P11940 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31

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
SCHEMBL21698034 0.90 CA1 (0.57) CA1CA2EEF2KEEF2MEN1
SCHEMBL27296702 0.83 CA1 (0.54) CA1CA2EEF2KEEF2MEN1
SCHEMBL21698036 0.82 CA1 (0.49) CA1CA2EEF2KEEF2MEN1
SCHEMBL21698081 0.78 CA1 (0.49) CA1CA2EEF2KEEF2MEN1
SCHEMBL27295263 0.78 CA1 (0.49) CA1CA2EEF2KEEF2MEN1
SCHEMBL5305200 0.76 EEF2K (0.78) CA1CA2EEF2KEEF2MEN1
SCHEMBL21698057 0.76 CA1 (0.47) CA1CA2EEF2KEEF2MEN1
SCHEMBL21698061 0.75 CA1 (0.46) CA1CA2EEF2KEEF2MEN1
SCHEMBL27295388 0.74 CA1 (0.46) CA1CA2EEF2KEEF2MEN1
SCHEMBL487095 0.72 CA1 (0.51) CA1CA2EEF2KEEF2MEN1

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-3608312-B1 SUBSTITUTED IMIDAZOLE SALT COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF XIAMEN VIVOHEALTHS TECH CO LTD (CN) 2024-06-26 — — EP disclosed
US-20230202986-A1 SUBSTITUTED IMIDAZOLE SALT COMPOUNDS, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION THEREOF AND APPLICATION THEREOF XIAMEN VIVOHEALTHS TECHNOLOGY CO., LTD. (CN) 2023-06-29 — — US disclosed
US-11584722-B2 Substituted imidazole salt compounds, preparation method thereof, pharmaceutical composition thereof and application thereof XIAMEN VIVOHEALTHS TECHNOLOGY CO., LTD. (CN) 2023-02-21 — — US disclosed
EP-3608312-A1 SUBSTITUTED IMIDAZOLE SALT COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF Xiamen Vivohealths Technology Co., Ltd. (CN) 2020-02-12 — — EP 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 (2 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-11584722-B2 Substituted imidazole salt compounds, preparation method thereof, pharmaceutical composition thereof and application thereof ALDOA, IDE, ACAT1 CA1 1931/4885CA2 1356/4885EEF2K 1084/4885
US-20230202986-A1 SUBSTITUTED IMIDAZOLE SALT COMPOUNDS, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION THEREOF AND APPLICATION THEREOF ALDOA, IDE, ACAT1 CA1 1931/4885CA2 1356/4885EEF2K 1084/4885

“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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