SCHEMBL5286061

SCHEMBL5286061

O=C(COCc1ccc(F)cc1)NCCCCCc1csc(-c2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
TP53 P04637 8/20 0.55
LMNA P02545 4/20 0.53
MAPT P10636 2/20 0.50
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
THRB P10828 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL5275941 0.92 TP53 (0.55) ALDH1A1GAATP53LMNAMAPT
SCHEMBL5286194 0.92 TP53 (0.53) ALDH1A1GAATP53LMNAMAPT
SCHEMBL6037970 0.91 TP53 (0.54) ALDH1A1GAATP53LMNAMAPT
SCHEMBL6038083 0.89 TP53 (0.51) ALDH1A1GAATP53LMNAMAPT
SCHEMBL5289055 0.89 TP53 (0.47) ALDH1A1GAATP53LMNAMAPT
SCHEMBL5281003 0.89 TP53 (0.68) ALDH1A1GAATP53LMNAMAPT
SCHEMBL6037894 0.87 TP53 (0.45) ALDH1A1GAATP53LMNAMAPT
SCHEMBL5284789 0.85 TP53 (0.47) ALDH1A1GAATP53LMNAMAPT
SCHEMBL6037994 0.85 TP53 (0.40) ALDH1A1GAATP53LMNAMAPT
SCHEMBL5291405 0.85 TP53 (0.49) ALDH1A1GAATP53LMNAMAPT

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 ALDH1A1 781/4885GAA 569/4885TP53 2551/4885

“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.