SCHEMBL23130699

SCHEMBL23130699

C#CCn1c(=O)cc(C)c2ccc(NC(=O)CN(CCN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)[C@H]3CCCC[C@@H]3N(CCN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)cc21

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.32
▸ POLB P06746 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ S1PR1 P21453 1/20 0.31
▸ CDK4 P11802 1/20 0.30
▸ CCND1 P24385 1/20 0.30
▸ CCND2 P30279 1/20 0.30
▸ CCND3 P30281 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 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
SCHEMBL23130700 0.98 POLB (0.32) MEN1KMT2AALDH1A1L3MBTL1POLB
SCHEMBL19962831 0.89 POLB (0.36) MEN1KMT2AALDH1A1L3MBTL1POLB
SCHEMBL23153395 0.83 L3MBTL1 (0.41) MEN1KMT2AALDH1A1L3MBTL1POLB
SCHEMBL23130695 0.80 TERT (0.37) MEN1KMT2AALDH1A1L3MBTL1POLB
SCHEMBL23130696 0.78 TERT (0.35) MEN1KMT2AALDH1A1L3MBTL1POLB
SCHEMBL19962894 0.77 KDM4E (0.31) —
SCHEMBL23153396 0.76 KAT2B (0.41) MEN1KMT2AALDH1A1L3MBTL1POLB
SCHEMBL23130701 0.73 AR (0.49) —
SCHEMBL23130702 0.71 AR (0.47) —
SCHEMBL23153394 0.71 L3MBTL1 (0.40) ALDH1A1L3MBTL1CA12CA1CA9

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-10961197-B2 Metal chelators for imaging, therapeutics, and bioanalysis THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-03-30 — — 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-10961197-B2 Metal chelators for imaging, therapeutics, and bioanalysis TBCA, SLC39A3, TBL3 MEN1 324/4885KMT2A 3881/4885ALDH1A1 3272/4885

“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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