SCHEMBL5282822

SCHEMBL5282822

O=C(COCc1ccc(F)cc1)NCCCCCc1csc(CO)n1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.46
HDAC6 Q9UBN7 6/20 0.46
TP53 P04637 5/20 0.43
LMNA P02545 4/20 0.43
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL5290863 0.89 HDAC1 (0.44) HDAC1HDAC6TP53LMNAMAPT
SCHEMBL6038003 0.88 TP53 (0.51) HDAC1HDAC6TP53LMNAMAPT
SCHEMBL5280650 0.87 RAB9A (0.45) HDAC1HDAC6TP53LMNAMAPT
SCHEMBL5277732 0.86 RAB9A (0.50) HDAC1HDAC6TP53LMNAMAPT
SCHEMBL6038367 0.85 TP53 (0.41) HDAC1HDAC6TP53LMNARAB9A
SCHEMBL5282979 0.85 TP53 (0.43) HDAC1HDAC6TP53LMNAMAPT
SCHEMBL5286061 0.84 ALDH1A1 (0.55) TP53LMNAMAPT
SCHEMBL5275941 0.84 TP53 (0.55) TP53LMNAMAPT
SCHEMBL6038118 0.84 HDAC1 (0.39) HDAC1HDAC6TP53LMNARAB9A
SCHEMBL5282375 0.83 AOC3 (0.47) TP53LMNARAB9A

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 3 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 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 HDAC1 1/4885HDAC6 17/4885TP53 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.