SCHEMBL1009191

SCHEMBL1009191

N=C(N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 6/20 0.47
▸ MEF2D Q14814 2/20 0.47
▸ HDAC1 Q13547 6/20 0.46
▸ HDAC3 O15379 4/20 0.46
▸ HDAC7 Q8WUI4 4/20 0.46
▸ HDAC2 Q92769 4/20 0.46
▸ HDAC10 Q969S8 4/20 0.46
▸ HDAC11 Q96DB2 4/20 0.46
▸ HDAC8 Q9BY41 4/20 0.46
▸ HDAC6 Q9UBN7 4/20 0.46
▸ HDAC9 Q9UKV0 4/20 0.46
▸ HDAC5 Q9UQL6 4/20 0.46
▸ PLG P00747 1/20 0.45
▸ F10 P00742 3/20 0.44
▸ GRIN1 Q05586 2/20 0.44
▸ GRIN2A Q12879 2/20 0.44
▸ NCOR2 Q9Y618 1/20 0.43
▸ PDE4A P27815 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43

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
SCHEMBL18941863 0.89 HDAC4 (0.45) HDAC4MEF2DHDAC1HDAC3HDAC7
SCHEMBL701212 0.87 NPC1 (0.51) HDAC4MEF2DHDAC1HDAC3HDAC7
SCHEMBL591280 0.87 NPC1 (0.51) HDAC4MEF2DHDAC1HDAC3HDAC7
SCHEMBL2936175 0.87 NPC1 (0.51) HDAC4MEF2DHDAC1HDAC3HDAC7
SCHEMBL676270 0.86 HDAC1 (0.51) HDAC4MEF2DHDAC1HDAC3HDAC7
SCHEMBL10583019 0.86 HDAC1 (0.51) HDAC4MEF2DHDAC1HDAC3HDAC7
SCHEMBL676271 0.86 HDAC1 (0.51) HDAC4MEF2DHDAC1HDAC3HDAC7
SCHEMBL29458758 0.86 HDAC1 (0.51) HDAC4MEF2DHDAC1HDAC3HDAC7
SCHEMBL24612904 0.86 KDM4E (0.56) HDAC4MEF2DHDAC1HDAC3HDAC7
Hydrochloric Acid SCHEMBL593062 0.86 NPC1 (0.50) HDAC4MEF2DHDAC1HDAC3HDAC7

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11285165-B2 Selective high-affinity polydentate ligands and methods of making such LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2022-03-29 — — US disclosed
US-20210000843-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2021-01-07 — — US disclosed
US-10874678-B2 Selective high-affinity polydentate ligands and methods of making such LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2020-12-29 — — US disclosed
US-10646502-B2 Selective high-affinity polydentate ligands and methods of making such LAWRENCE LIVERMORE NATIONAL SECURITY (US) 2020-05-12 — — US disclosed
US-20190262364-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2019-08-29 — — US disclosed
US-10292992-B2 Selective high-affinity polydentate ligands and methods of making such LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2019-05-21 — — US disclosed
US-9884070-B2 Selective high-affinity polydentate ligands and methods of making such LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2018-02-06 — — US disclosed
US-20180008621-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2018-01-11 — — US disclosed
US-20180008622-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2018-01-11 — — US disclosed
EP-2268654-B1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH UNIV CALIFORNIA (US) 2017-01-25 — — EP disclosed
US-20110144065-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH U.S. DEPARTMENT OF ENERGY 2011-06-16 — — US disclosed
EP-2268654-A2 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH The Regents of the University of California (US) 2011-01-05 — — EP disclosed
WO-2009132020-A2 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-10-29 — — 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 (9 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-10646502-B2 Selective high-affinity polydentate ligands and methods of making such CD44, FCGR3B, FCGR2A HDAC4 4317/4885MEF2D 4472/4885HDAC1 3592/4885
US-11285165-B2 Selective high-affinity polydentate ligands and methods of making such CD44, FCGR3B, FCGR2A HDAC4 4317/4885MEF2D 4472/4885HDAC1 3592/4885
US-20110144065-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH CD44, FCGR3B, FCGR2A HDAC4 4317/4885MEF2D 4472/4885HDAC1 3592/4885
US-20180008621-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH CD44, FCGR3B, FCGR2A HDAC4 4317/4885MEF2D 4472/4885HDAC1 3592/4885
US-20180008622-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH CD44, FCGR3B, FCGR2A HDAC4 4317/4885MEF2D 4472/4885HDAC1 3592/4885
US-20190262364-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH CD44, FCGR3B, FCGR2A HDAC4 4317/4885MEF2D 4472/4885HDAC1 3592/4885
US-10874678-B2 Selective high-affinity polydentate ligands and methods of making such CD44, FCGR3B, FCGR2A HDAC4 4317/4885MEF2D 4472/4885HDAC1 3592/4885
US-20210000843-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH CD44, FCGR3B, FCGR2A HDAC4 4317/4885MEF2D 4472/4885HDAC1 3592/4885
US-10292992-B2 Selective high-affinity polydentate ligands and methods of making such CD44, FCGR3B, FCGR2A HDAC4 4317/4885MEF2D 4472/4885HDAC1 3592/4885

“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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