SCHEMBL1596762

SCHEMBL1596762

Cc1ccc2nc(NNC(=O)[C@H](CCC3CCCC3)CN(O)C=O)nnc2c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
LDLR P01130 1/20 0.34
RAB9A P51151 3/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
METAP2 P50579 2/20 0.32
METAP1 P53582 1/20 0.32

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
SCHEMBL1596766 1.00 NPC1 (0.34) NPC1GAAPKMHTTLDLR
SCHEMBL1595620 0.93 METAP2 (0.37) METAP2METAP1
SCHEMBL1595629 0.93 METAP2 (0.37) METAP2METAP1
SCHEMBL1596955 0.86 PDF (0.32) GAA
SCHEMBL1596950 0.86 PDF (0.32) GAA
SCHEMBL1595094 0.85 KDM4E (0.31) GAA
SCHEMBL1595096 0.85 KDM4E (0.31) GAA
SCHEMBL1594867 0.85 KMT2A (0.33) NPC1HTTLDLRRAB9AMEN1
SCHEMBL1594870 0.85 KMT2A (0.33) NPC1HTTLDLRRAB9AMEN1
SCHEMBL1595822 0.85 BMP1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919528-B2 Antibiotic; bactericides GLAXOSMITHKLINE LLC (US) 2011-04-05 US claimed
JP-4563798-B2 2010-10-13 JP claimed
EP-1509218-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-03-26 EP claimed
US-20050222412-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2005-10-06 US claimed
EP-1509218-A1 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2005-03-02 EP claimed
WO-2003101442-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-11 WO claimed
US-7919528-B2 Antibiotic; bactericides GLAXOSMITHKLINE LLC (US) 2011-04-05 US disclosed
US-20080161249-A1 Use of Novel Antibacterial Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-07-03 US disclosed
EP-1509218-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-03-26 EP disclosed
EP-1827449-A4 THE USE OF NOVEL ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-01-23 EP disclosed
EP-1827449-A2 THE USE OF NOVEL ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-05 EP disclosed
WO-2006055663-A2 THE USE OF NOVEL ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-05-26 WO disclosed
US-20050222412-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2005-10-06 US disclosed
EP-1509218-A1 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2005-03-02 EP disclosed
WO-2003101442-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-11 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 (2 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-20080161249-A1 Use of Novel Antibacterial Compounds MRPL21, NRDC, SPOUT1 NPC1 724/4885GAA 541/4885PKM 3969/4885
US-20050222412-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 NPC1 1328/4885GAA 1043/4885PKM 1853/4885

“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.