SCHEMBL4864636

SCHEMBL4864636

COc1cccc2cc(C(=O)NNC(=O)C(C3CCCC3)N(O)C=O)oc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 6/20 0.52
MMP12 P39900 4/20 0.52
ADORA2A P29274 2/20 0.49
ADORA1 P30542 1/20 0.49
ADORA2B P29275 1/20 0.48
CHRNA7 P36544 1/20 0.47
LMNA P02545 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP1A2 P05177 1/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL4871713 0.99 BMP1 (0.51) BMP1MMP12ADORA2AADORA1ADORA2B
SCHEMBL4864759 0.99 BMP1 (0.51) BMP1MMP12ADORA2AADORA1ADORA2B
SCHEMBL4864683 0.93 BMP1 (0.51) BMP1MMP12ADORA2AADORA1ADORA2B
SCHEMBL6023714 0.81 BMP1 (0.62) BMP1MMP12ADORA2AADORA1ADORA2B
SCHEMBL6839051 0.76 ADORA2A (0.72) ADORA2AADORA1ADORA2BCHRNA7LMNA
SCHEMBL6837609 0.74 ADORA2A (0.69) ADORA2AADORA1ADORA2BCHRNA7LMNA
SCHEMBL4864623 0.73 BMP1 (0.56) BMP1MMP12ADORA2AADORA2BCHRNA7
SCHEMBL4864730 0.72 BMP1 (0.55) BMP1MMP12ADORA2AADORA2BCHRNA7
SCHEMBL4871677 0.72 BMP1 (0.55) BMP1MMP12ADORA2AADORA2BCHRNA7
SCHEMBL4864660 0.72 BMP1 (0.53) BMP1MMP12ADORA2AADORA1CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332485-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORP (US) 2008-02-19 US claimed
US-20060160802-A1 Peptide deformylase inhibitors GLAXO GROUP LIMITED 2006-07-20 US claimed
WO-2005005456-A2 PEPTIDE DEFORMYLASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-01-20 WO claimed
US-7332485-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORP (US) 2008-02-19 US disclosed
US-20060160802-A1 Peptide deformylase inhibitors GLAXO GROUP LIMITED 2006-07-20 US disclosed
WO-2005005456-A2 PEPTIDE DEFORMYLASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-01-20 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-20060160802-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 BMP1 1590/4885MMP12 1436/4885ADORA2A 4169/4885

“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.