SCHEMBL5282166

SCHEMBL5282166

O=C(COCc1ccc(F)cc1)NCCC1CCN(C(=O)NCCc2c[nH]c3ccccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.53
BCHE P06276 7/20 0.53
CHRM4 P08173 1/20 0.50
SIRT1 Q96EB6 1/20 0.48
DRD2 P14416 1/20 0.47
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTR1A P08908 1/20 0.46
HTR1B P28222 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL5282667 0.95 BCHE (0.55) ACHEBCHECHRM4SIRT1DRD2
SCHEMBL5281968 0.92 SPR (0.54) ACHEBCHECHRM4SIRT1MEN1
SCHEMBL5278655 0.90 BCHE (0.59) ACHEBCHEDRD2
SCHEMBL5278902 0.90 BCHE (0.47) ACHEBCHESIRT1DRD2LMNA
SCHEMBL5291489 0.89 BCHE (0.52) ACHEBCHESIRT1DRD2LMNA
SCHEMBL5289480 0.89 BCHE (0.56) ACHEBCHECHRM4DRD2LMNA
SCHEMBL6037985 0.88 BCHE (0.55) ACHEBCHEMEN1MAPTKMT2A
SCHEMBL6038046 0.88 ACHE (0.48) ACHEBCHEMEN1MAPTKMT2A
SCHEMBL5279913 0.87 BCHE (0.60) ACHEBCHEDRD2HTR1A
SCHEMBL5280809 0.87 SIRT1 (0.47) ACHEBCHESIRT1MEN1MAPT

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 6 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
EP-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP disclosed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO 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 ACHE 3161/4885BCHE 1641/4885CHRM4 3413/4885

“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.