SCHEMBL5286194

SCHEMBL5286194

O=C(COCc1ccc(F)cc1)NCCCCCc1csc(-c2cccc(O)c2)n1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 8/20 0.53
THRB P10828 1/20 0.51
LMNA P02545 4/20 0.50
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 3/20 0.48
SHMT1 P34896 1/20 0.45

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
SCHEMBL5286061 0.92 ALDH1A1 (0.55) TP53THRBLMNAALDH1A1GAA
SCHEMBL5275941 0.90 TP53 (0.55) TP53LMNAALDH1A1GAAMAPT
SCHEMBL6037970 0.86 TP53 (0.54) TP53LMNAALDH1A1GAAMAPT
SCHEMBL6038083 0.85 TP53 (0.51) TP53THRBLMNAALDH1A1GAA
SCHEMBL5281003 0.85 TP53 (0.68) TP53THRBLMNAALDH1A1GAA
SCHEMBL6038091 0.85 LMNA (0.56) TP53THRBLMNAALDH1A1GAA
SCHEMBL5289055 0.83 TP53 (0.47) TP53THRBLMNAALDH1A1GAA
SCHEMBL6037894 0.82 TP53 (0.45) TP53THRBLMNAALDH1A1GAA
SCHEMBL5284789 0.81 TP53 (0.47) TP53LMNAALDH1A1GAAMAPT
SCHEMBL5291405 0.81 TP53 (0.49) TP53LMNAALDH1A1GAAMAPT

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 TP53 2551/4885THRB 2728/4885LMNA 851/4885

“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.