SCHEMBL4676129

SCHEMBL4676129

COc1cc(CN2C(=O)N([C@H](C=O)CC(C)C)C(=O)C2(C)C)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 10/20 0.44
ITGB1 P05556 9/20 0.44
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 1/20 0.39
LPAR1 Q92633 2/20 0.38
LMNA P02545 1/20 0.38
CHEK1 O14757 1/20 0.38
GAA P10253 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
SCHEMBL4676138 1.00 ITGA4 (0.44) ITGA4ITGB1HDAC1HDAC6MEN1
SCHEMBL4671784 0.90 ITGA4 (0.47) ITGA4ITGB1MEN1KMT2AMAPT
SCHEMBL4671791 0.90 ITGA4 (0.47) ITGA4ITGB1MEN1KMT2AMAPT
SCHEMBL6522255 0.89 ITGA4 (0.41) ITGA4ITGB1HDAC1HDAC6MEN1
SCHEMBL6522250 0.89 ITGA4 (0.41) ITGA4ITGB1HDAC1HDAC6MEN1
SCHEMBL4671381 0.85 ITGA4 (0.42) ITGA4ITGB1HDAC1HDAC6MEN1
SCHEMBL4671397 0.85 ITGA4 (0.42) ITGA4ITGB1HDAC1HDAC6MEN1
SCHEMBL4677538 0.83 ITGB1 (0.47) ITGA4ITGB1
SCHEMBL8359831 0.83 ITGB1 (0.47) ITGA4ITGB1
Hydrochloric Acid SCHEMBL4674445 0.82 ITGB1 (0.47) ITGA4ITGB1

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-1414444-B1 NOVEL IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS VLA-4 ANTAGONISTS SANOFI AVENTIS DEUTSCHLAND (DE) 2008-04-09 EP disclosed
US-6962937-B2 Imidazolidine derivatives, their preparation and their use AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-11-08 US disclosed
US-20030109497-A1 Novel imidazolidine derivatives, their preparation and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-06-12 US 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-20030109497-A1 Novel imidazolidine derivatives, their preparation and their use VCAM1, ITGA1, ITGA4 ITGA4 3/4885ITGB1 5/4885HDAC1 861/4885

“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.