SCHEMBL5280809

SCHEMBL5280809

O=C(COCc1ccc(F)cc1)NCCCCC1CN(C(=O)NCCc2c[nH]c3ccccc23)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.47
CDK4 P11802 2/20 0.45
CCND1 P24385 2/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ACHE P22303 4/20 0.44
BCHE P06276 3/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
GFER P55789 1/20 0.44
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
AANAT Q16613 1/20 0.43
SPR P35270 1/20 0.43
TACR1 P25103 1/20 0.43

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
SCHEMBL5278902 0.94 BCHE (0.47) SIRT1CDK4CCND1POLBMEN1
SCHEMBL5278312 0.92 SIRT1 (0.46) SIRT1CDK4CCND1POLBMEN1
SCHEMBL5282166 0.87 ACHE (0.53) SIRT1MEN1KMT2AACHEBCHE
SCHEMBL5282667 0.85 BCHE (0.55) SIRT1POLBMEN1KMT2AACHE
SCHEMBL5278446 0.85 TACR1 (0.45) SIRT1POLBMEN1KMT2AACHE
SCHEMBL5283383 0.83 ACHE (0.41) MEN1KMT2AACHEBCHEGAA
SCHEMBL5279163 0.83 BCHE (0.50) MEN1KMT2AACHEBCHE
SCHEMBL5278655 0.80 BCHE (0.59) ACHEBCHE
SCHEMBL6037933 0.80 GFER (0.53) SIRT1CDK4CCND1POLBMEN1
SCHEMBL6037927 0.80 SIRT1 (0.52) SIRT1CDK4CCND1POLBMEN1

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
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US 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 SIRT1 89/4885CDK4 819/4885CCND1 490/4885

“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.