SCHEMBL1594869

SCHEMBL1594869

COc1ccc2nc(NNC(=O)C(CN(O)C=O)C3CCCCC3)nnc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
KLF5 Q13887 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 2/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
BRD4 O60885 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL1594866 1.00 HPGDS (0.36) HPGDSMAOAMAOBNR1H4RAB9A
SCHEMBL1595726 0.89 METAP2 (0.35) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL1595722 0.89 METAP2 (0.35) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL1594870 0.88 KMT2A (0.33) RAB9ANPC1KMT2AMEN1RXFP1
SCHEMBL1594867 0.88 KMT2A (0.33) RAB9ANPC1KMT2AMEN1RXFP1
SCHEMBL1596998 0.87 NPC1 (0.36) RAB9ANPC1
SCHEMBL1596988 0.87 NPC1 (0.36) RAB9ANPC1
SCHEMBL1596803 0.86 KLK7 (0.35)
SCHEMBL1596797 0.86 KLK7 (0.35)
SCHEMBL1595536 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919528-B2 Antibiotic; bactericides GLAXOSMITHKLINE LLC (US) 2011-04-05 US claimed
US-20050222412-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2005-10-06 US 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 HPGDS 797/4885MAOA 3712/4885MAOB 3281/4885
US-20050222412-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 HPGDS 911/4885MAOA 4065/4885MAOB 3103/4885

“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.