SCHEMBL6024962

SCHEMBL6024962

CCCCC[C@H](CN(O)C=O)C(=O)NNC(=O)Nc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 6/20 0.54
HDAC8 Q9BY41 5/20 0.50
HDAC3 O15379 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
ALDH1A1 P00352 3/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.48
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL6024406 1.00 BMP1 (0.54) BMP1HDAC8HDAC3HDAC6HDAC1
SCHEMBL6024474 0.97 BMP1 (0.50) BMP1HDAC8HDAC3HDAC6HDAC1
SCHEMBL6024504 0.90 BMP1 (0.53) BMP1HDAC8HDAC3HDAC6HDAC1
SCHEMBL6023546 0.84 BMP1 (0.44) BMP1ALDH1A1MAPTMMP12EPHX1
SCHEMBL6024781 0.84 BMP1 (0.44) BMP1ALDH1A1MAPTMMP12EPHX1
SCHEMBL6024410 0.84 BMP1 (0.54) BMP1KMT2AMMP12
SCHEMBL6023832 0.84 BMP1 (0.58) BMP1MMP12
SCHEMBL6024077 0.84 KMT2A (0.52) BMP1HDAC8HDAC3HDAC6HDAC1
SCHEMBL6024726 0.84 BMP1 (0.47) BMP1MMP12
SCHEMBL6023703 0.82 BMP1 (0.56) BMP1HDAC8HDAC3HDAC6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363873-B1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2016-04-20 EP claimed
US-7019003-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2006-03-28 US claimed
EP-1363873-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2006-01-04 EP claimed
US-20040087585-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2004-05-06 US claimed
EP-1363873-A2 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2003-11-26 EP claimed
WO-2002070541-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITH KLINE BEECHAM CORPORATION (US) 2002-09-12 WO claimed
EP-1363873-B1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2016-04-20 EP disclosed
US-7019003-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2006-03-28 US disclosed
EP-1363873-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2006-01-04 EP disclosed
US-20040087585-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2004-05-06 US disclosed
EP-1363873-A2 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2003-11-26 EP disclosed
WO-2002070541-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITH KLINE BEECHAM CORPORATION (US) 2002-09-12 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-20040087585-A1 Peptide deformylase inhibitors PDF, DPEP1, PEPD BMP1 1586/4885HDAC8 1842/4885HDAC3 3852/4885

“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.