SCHEMBL19962831

SCHEMBL19962831

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CA1 P00915 9/20 0.33
▸ CA2 P00918 9/20 0.33
▸ CA12 O43570 4/20 0.33
▸ CA9 Q16790 4/20 0.33
▸ CA4 P22748 4/20 0.33
▸ NPY5R Q15761 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ RAB9A P51151 1/20 0.32
▸ GBA1 P04062 1/20 0.32

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
SCHEMBL23153395 0.93 L3MBTL1 (0.41) POLBATML3MBTL1MEN1KMT2A
SCHEMBL23130700 0.91 POLB (0.32) POLBATML3MBTL1MEN1KMT2A
SCHEMBL23130699 0.89 MEN1 (0.33) POLBATML3MBTL1MEN1KMT2A
SCHEMBL19962894 0.88 KDM4E (0.31) KDM4E
SCHEMBL23153396 0.87 KAT2B (0.41) POLBATML3MBTL1MEN1KMT2A
SCHEMBL23153397 0.76 CA1 (0.38) L3MBTL1ALDH1A1CA1CA2CA12
SCHEMBL19962797 0.75 ALDH1A1 (0.48) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL23153405 0.74 POLB (0.42) POLBATML3MBTL1MEN1KMT2A
SCHEMBL15159301 0.73 CA1 (0.38) POLBL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL23153394 0.71 L3MBTL1 (0.40) L3MBTL1ALDH1A1CA1CA12CA9

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 2 patents. 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
WO-2018048879-A1 METAL CHELATORS FOR IMAGING, THERAPEUTICS, AND BIOANALYSIS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-03-15 — — 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-10961197-B2 Metal chelators for imaging, therapeutics, and bioanalysis TBCA, SLC39A3, TBL3 POLB 3242/4885ATM 3956/4885L3MBTL1 135/4885

“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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