SCHEMBL5281811

SCHEMBL5281811

O=C(COCc1ccc(F)cc1)NCCCCCC(=O)N1CCCC1C(=O)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 4/20 0.47
ITGA4 P13612 4/20 0.47
DPP4 P27487 2/20 0.46
PRCP P42785 1/20 0.46
ALDH1A1 P00352 2/20 0.43
KCNH2 Q12809 1/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
FKBP1A P62942 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM1A O60341 1/20 0.41
RCOR1 Q9UKL0 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL5281806 1.00 ITGB1 (0.47) ITGB1ITGA4DPP4PRCPALDH1A1
SCHEMBL5280371 0.91 ALDH1A1 (0.54) ITGB1ITGA4DPP4PRCPALDH1A1
SCHEMBL5280364 0.91 ALDH1A1 (0.54) ITGB1ITGA4DPP4PRCPALDH1A1
SCHEMBL5282120 0.86 HDAC1 (0.46) ITGB1ITGA4DPP4PRCPALDH1A1
SCHEMBL5282114 0.86 HDAC1 (0.46) ITGB1ITGA4DPP4PRCPALDH1A1
SCHEMBL5353477 0.86 DPP4 (0.51) DPP4PRCPALDH1A1
SCHEMBL5353470 0.86 DPP4 (0.51) DPP4PRCPALDH1A1
SCHEMBL5281177 0.83 DPP4 (0.49) DPP4PRCPALDH1A1FKBP1A
SCHEMBL5281181 0.83 DPP4 (0.49) DPP4PRCPALDH1A1FKBP1A
SCHEMBL5277529 0.80 TSHR (0.50) DPP4PRCPALDH1A1KDM4EFKBP1A

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 ITGB1 3583/4885ITGA4 3737/4885DPP4 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.