SCHEMBL5740247

SCHEMBL5740247

COc1c(C(C)(C)C)cc(CC(=O)NO)cc1C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC8 Q9BY41 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
DHFR P00374 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
PDE4A P27815 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
HDAC10 Q969S8 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL7792677 0.81 NR1H4 (0.49) TNFRSF1ADHFRALDH1A1TSHRTDP1
SCHEMBL5741936 0.81 GAA (0.55) MEN1KMT2AHDAC6HDAC8KDM4E
SCHEMBL8607172 0.81 LMNA (0.44) MEN1KMT2ASMN1; SMN2
SCHEMBL8608659 0.80 TNFRSF1A (0.38) TNFRSF1AMEN1KMT2AKDM4EMAPT
SCHEMBL8608657 0.79 LMNA (0.42) MEN1KMT2A
SCHEMBL8608655 0.79 KMT2A (0.43) MEN1KMT2ASMN1; SMN2
SCHEMBL8608652 0.79 ALDH1A1 (0.39) TNFRSF1AMEN1KMT2AKDM4EDHFR
SCHEMBL5742233 0.78 KDM4E (0.60) MEN1KMT2AKDM4EMAPTHTT
SCHEMBL5740650 0.77 HDAC6 (0.47) MEN1KMT2AHDAC6HDAC8KDM4E
SCHEMBL5741738 0.77 KDM4E (0.51) MEN1KMT2AHDAC6HDAC8KDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383729-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2006-04-19 EP claimed
US-20040267015-A1 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORPORATION 2004-12-30 US claimed
EP-1383729-A1 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2004-01-28 EP claimed
WO-2002081426-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-17 WO claimed
EP-1383729-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2006-04-19 EP disclosed
US-20040267015-A1 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORPORATION 2004-12-30 US disclosed
EP-1383729-A1 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2004-01-28 EP disclosed
WO-2002081426-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-17 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-20040267015-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 TNFRSF1A 1985/4885MEN1 2559/4885KMT2A 3776/4885

“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.