SCHEMBL4710586

SCHEMBL4710586

CC(=O)C1Cc2ccc(N(C)C)cc2N1C(=O)[C@H]1CC[C@H](N)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
THRB P10828 1/20 0.36
ESR2 Q92731 1/20 0.32
BRD4 O60885 1/20 0.32
ATAD2 Q6PL18 1/20 0.32
P2RX4 Q99571 1/20 0.32
POLB P06746 2/20 0.31
TP53 P04637 1/20 0.31
ACHE P22303 1/20 0.31
SLC18A3 Q16572 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 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
SCHEMBL4710585 1.00 GAA (0.36) GAATHRBESR2BRD4ATAD2
SCHEMBL4714429 0.75 TSHR (0.52) BRD4ATAD2POLBTP53KDM4E
SCHEMBL4714432 0.75 TSHR (0.52) BRD4ATAD2POLBTP53KDM4E
SCHEMBL29644658 0.61 P2RX4 (0.38) GAATHRBP2RX4KDM4EALDH1A1
SCHEMBL4716262 0.60 HDAC1 (0.44)
SCHEMBL4716265 0.60 HDAC1 (0.44)
SCHEMBL16350248 0.59 NOTUM (0.68) TP53
SCHEMBL4707127 0.59 NOTUM (0.68) TP53
SCHEMBL14067250 0.59 NOTUM (0.63) ALDH1A1KMT2A
SCHEMBL346900 0.58 GHSR (0.46) TP53ACHE

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 3 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-20040063935-A1 Aliphatic nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2004-04-01 US 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 (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-20040063935-A1 Aliphatic nitrogenous five-membered ring compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SCN5A, CYP11B1 GAA 2920/4885THRB 4438/4885ESR2 3580/4885

“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.