SCHEMBL1594867

SCHEMBL1594867

Cc1ccc2nc(NNC(=O)[C@@H](CN(O)C=O)C3CCCC3)nnc2c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
METAP2 P50579 2/20 0.33
RXFP1 Q9HBX9 1/20 0.32
OPRK1 P41145 1/20 0.32
HTT P42858 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
POLB P06746 1/20 0.30
KDM4E B2RXH2 1/20 0.30
METAP1 P53582 1/20 0.30
LDLR P01130 1/20 0.30

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
SCHEMBL1594870 1.00 KMT2A (0.33) KMT2AMEN1METAP2RXFP1OPRK1
SCHEMBL1595722 0.99 METAP2 (0.35) KMT2AMEN1METAP2RXFP1OPRK1
SCHEMBL1595726 0.99 METAP2 (0.35) KMT2AMEN1METAP2RXFP1OPRK1
SCHEMBL1595536 0.93
SCHEMBL1595538 0.93
SCHEMBL1594869 0.88 HPGDS (0.36) KMT2AMEN1RXFP1NPC1RAB9A
SCHEMBL1594866 0.88 HPGDS (0.36) KMT2AMEN1RXFP1NPC1RAB9A
SCHEMBL1595629 0.86 METAP2 (0.37) METAP2METAP1
SCHEMBL1595620 0.86 METAP2 (0.37) METAP2METAP1
SCHEMBL1596766 0.85 NPC1 (0.34) KMT2AMEN1METAP2HTTNPC1

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
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
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 KMT2A 4697/4885MEN1 4396/4885METAP2 1523/4885
US-20050222412-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 KMT2A 3860/4885MEN1 2495/4885METAP2 757/4885

“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.