SCHEMBL25042862

SCHEMBL25042862

CN(Cc1ccc(C(=O)NNC(=O)OC(C)(C)C)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.52
▸ HDAC3 O15379 3/20 0.52
▸ HDAC2 Q92769 2/20 0.52
▸ NCOR2 Q9Y618 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ CTSL P07711 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ CTSS P25774 1/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.42
▸ GAA P10253 1/20 0.41
▸ MCHR1 Q99705 1/20 0.40
▸ AKT1 P31749 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ NAMPT P43490 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TLR7 Q9NYK1 1/20 0.38

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
SCHEMBL29244024 0.90 HDAC1 (0.55) HDAC1HDAC3HDAC2NCOR2ALDH1A1
SCHEMBL25042872 0.87 GAA (0.45) HDAC1HDAC3HDAC2NCOR2ALDH1A1
SCHEMBL2484830 0.85 HDAC1 (0.49) HDAC1HDAC3HDAC2NCOR2ALDH1A1
SCHEMBL1935356 0.81 LOXL2 (0.49) HDAC1HDAC3HDAC2NCOR2ALDH1A1
SCHEMBL31725156 0.80 PYCR1 (0.49) HDAC1HDAC3HDAC2NCOR2ALDH1A1
SCHEMBL2937892 0.80 ALDH1A1 (0.54) HDAC1HDAC3HDAC2NCOR2ALDH1A1
SCHEMBL1243793 0.80 HDAC1 (0.46) HDAC1HDAC3HDAC2NCOR2ALDH1A1
SCHEMBL13612622 0.80 ALDH1A1 (0.71) HDAC1HDAC3HDAC2NCOR2ALDH1A1
SCHEMBL2229917 0.80 MTOR (0.48) HDAC1HDAC3HDAC2NCOR2ALDH1A1
SCHEMBL14829450 0.79 AOC3 (0.45) HDAC1HDAC3HDAC2NCOR2ALDH1A1

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
US-20250026742-A1 COMPOUND AS ATR KINASE INHIBITOR SUZHOU ARK BIOPHARMACEUTICAL CO., LTD. (CN) 2025-01-23 — — US disclosed
CN-117794924-A Compounds useful as inhibitors of ATR kinase 苏州爱科百发生物医药技术有限公司 2024-03-29 — — CN disclosed
WO-2023016525-A1 COMPOUND AS ATR KINASE INHIBITOR 苏州爱科百发生物医药技术有限公司 2023-02-16 — — WO disclosed
WO-2023016525-A1 COMPOUND AS ATR KINASE INHIBITOR 苏州爱科百发生物医药技术有限公司 2023-02-16 — — 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-20250026742-A1 COMPOUND AS ATR KINASE INHIBITOR ATR, CHEK2, CHEK1 HDAC1 2074/4885HDAC3 3077/4885HDAC2 2122/4885

“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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