SCHEMBL4716262

SCHEMBL4716262

CN(C)C(=O)c1ccc2c(c1)CN(C(=O)[C@H]1CC[C@H](N)CC1)C2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.44
HDAC6 Q9UBN7 5/20 0.43
SMYD3 Q9H7B4 4/20 0.39
DPP4 P27487 3/20 0.38
FAP Q12884 3/20 0.38
HDAC8 Q9BY41 1/20 0.38
KDM2B Q8NHM5 2/20 0.37
HSD11B1 P28845 1/20 0.36
PDK1 Q15118 2/20 0.36
PDK2 Q15119 2/20 0.36
PDK3 Q15120 2/20 0.36
PDK4 Q16654 2/20 0.36

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
SCHEMBL4716265 1.00 HDAC1 (0.44) HDAC1HDAC6SMYD3DPP4FAP
SCHEMBL14590636 0.77 NOTUM (0.53) HDAC6HDAC8PDK1PDK2PDK3
SCHEMBL16324997 0.75 AKR1C3 (0.41) HDAC6HDAC8KDM2BPDK1PDK2
SCHEMBL4716258 0.75 KDM2B (0.44) SMYD3KDM2B
SCHEMBL3287771 0.75 HDAC6 (0.54) HDAC6SMYD3
Iodide SCHEMBL4716431 0.73 USP30 (0.47) HDAC1
Iodide SCHEMBL4716430 0.73 USP30 (0.47) HDAC1
SCHEMBL4711157 0.71 ERCC1 (0.45) HDAC1HDAC6
SCHEMBL4711151 0.71 ERCC1 (0.45) HDAC1HDAC6
SCHEMBL14626051 0.70 AKR1C3 (0.42) HDAC6HDAC8PDK1PDK2PDK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1325910-B1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-17 EP disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 US disclosed
US-6849622-B2 Aliphatic nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2005-02-01 US disclosed
US-20040229926-A1 Aliphatic nitrogen - containing 5 - membered ring compound TANABE SEIYAKU CO., LTD. 2004-11-18 US disclosed
US-20040063935-A1 Aliphatic nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2004-04-01 US disclosed
CN-1468217-A Aliphatic nitrogenous five-membered ring compounds ������ҩ��ʽ���� 2004-01-14 CN disclosed
EP-1325910-A1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2003-07-09 EP 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 (2 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-20040063935-A1 Aliphatic nitrogenous five-membered ring compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SCN5A, CYP11B1 HDAC1 267/4885HDAC6 295/4885SMYD3 1076/4885
US-20040229926-A1 Aliphatic nitrogen - containing 5 - membered ring compound H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B1, CYP11B2 HDAC1 184/4885HDAC6 314/4885SMYD3 1393/4885

“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.