SCHEMBL5282120

SCHEMBL5282120

Nc1ccccc1NC(=O)C1CCCN1C(=O)CCCCCNC(=O)COCc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.46
HDAC2 Q92769 2/20 0.46
DPP4 P27487 2/20 0.45
HDAC3 O15379 6/20 0.45
PRCP P42785 1/20 0.44
ITGB1 P05556 3/20 0.44
ITGA4 P13612 3/20 0.44
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL5282114 1.00 HDAC1 (0.46) HDAC1HDAC2DPP4HDAC3PRCP
SCHEMBL5281811 0.86 ITGB1 (0.47) DPP4PRCPITGB1ITGA4ALDH1A1
SCHEMBL5281806 0.86 ITGB1 (0.47) DPP4PRCPITGB1ITGA4ALDH1A1
SCHEMBL5353477 0.84 DPP4 (0.51) DPP4PRCPALDH1A1
SCHEMBL5353470 0.84 DPP4 (0.51) DPP4PRCPALDH1A1
SCHEMBL5280371 0.83 ALDH1A1 (0.54) DPP4PRCPITGB1ITGA4ALDH1A1
SCHEMBL5280364 0.83 ALDH1A1 (0.54) DPP4PRCPITGB1ITGA4ALDH1A1
SCHEMBL5281177 0.83 DPP4 (0.49) DPP4PRCPALDH1A1
SCHEMBL5281181 0.83 DPP4 (0.49) DPP4PRCPALDH1A1
SCHEMBL5277535 0.80 TSHR (0.50) DPP4PRCPALDH1A1TSHR

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
EP-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP claimed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US claimed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO claimed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 HDAC1 1/4885HDAC2 5/4885DPP4 1924/4885

“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.