SCHEMBL13435259

SCHEMBL13435259

COC(=O)CN(CC(=O)OC)c1ccccc1OCCOCCOc1cc(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)ccc1N(CC(=O)OC)CC(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ P2RY6 Q15077 1/20 0.42
▸ GPR3 P46089 4/20 0.41
▸ GBA1 P04062 3/20 0.40
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ ITPR1 Q14643 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.37
▸ MAP3K5 Q99683 1/20 0.37
▸ GPR6 P46095 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36
▸ APAF1 O14727 1/20 0.35
▸ USP2 O75604 1/20 0.35

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
SCHEMBL13230087 0.93 MEN1 (0.52) TDP1MEN1THRBRECQLBLM
SCHEMBL13435261 0.93 TDP1 (0.56) TDP1MEN1THRBRECQLBLM
SCHEMBL14008857 0.88 P2RY6 (0.47) TDP1MEN1THRBRECQLBLM
SCHEMBL14008842 0.87 MEN1 (0.45) TDP1MEN1THRBRECQLBLM
SCHEMBL19557403 0.86 MEN1 (0.51) TDP1MEN1THRBRECQLBLM
Acetic Acid SCHEMBL19878400 0.85 MEN1 (0.52) TDP1MEN1THRBRECQLBLM
SCHEMBL14008838 0.84 MEN1 (0.42) TDP1MEN1THRBRECQLBLM
SCHEMBL9350134 0.83 MEN1 (0.54) TDP1MEN1THRBRECQLBLM
SCHEMBL31716158 0.83 MEN1 (0.54) TDP1MEN1THRBRECQLBLM
Hydrochloric Acid SCHEMBL29355994 0.82 MEN1 (0.53) TDP1MEN1THRBRECQLBLM

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-20100068748-A1 Fluorescent Ion Indicators for Cadmium and Lanthanide Ion Detection INVITROGEN CORPORATION (US) 2010-03-18 — — 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-20100068748-A1 Fluorescent Ion Indicators for Cadmium and Lanthanide Ion Detection SLC30A6, SLC39A14, SLC39A7 TDP1 3745/4885MEN1 2860/4885THRB 2147/4885

“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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