SCHEMBL1595923

SCHEMBL1595923

Cc1cccc2nnc(NNC(=O)C(CN(O)C=O)C3CCCCC3)nc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
TSHR P16473 1/20 0.32
P2RX7 Q99572 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
BCHE P06276 2/20 0.31
ACHE P22303 2/20 0.31
GRIN2B Q13224 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C19 P33261 1/20 0.31
METAP2 P50579 2/20 0.31
METAP1 P53582 1/20 0.31
KDM4E B2RXH2 1/20 0.31
YES1 P07947 1/20 0.31

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
SCHEMBL1595920 1.00 POLB (0.33) POLBRXFP1TSHRP2RX7MEN1
SCHEMBL1595043 0.99 RXFP1 (0.33) POLBRXFP1TSHRP2RX7MEN1
SCHEMBL1595047 0.99 RXFP1 (0.33) POLBRXFP1TSHRP2RX7MEN1
SCHEMBL1596243 0.92
SCHEMBL1596246 0.92
SCHEMBL1595628 0.86
SCHEMBL5048304 0.86
SCHEMBL1595634 0.86
SCHEMBL4861469 0.84 KMT2A (0.34) POLBRXFP1TSHRP2RX7MEN1
SCHEMBL1596780 0.83 YES1 (0.36) P2RX7YES1PDGFRBEPHB4

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 POLB 1381/4885RXFP1 3815/4885TSHR 4755/4885
US-20050222412-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 POLB 2001/4885RXFP1 1860/4885TSHR 3168/4885

“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.