SCHEMBL2563050

SCHEMBL2563050

COc1ccc(Cl)c(C(=O)NCCN(O)C=O)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.51
P2RY12 Q9H244 1/20 0.51
CYP1A2 P05177 1/20 0.49
TYK2 P29597 1/20 0.48
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
OR51E2 Q9H255 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL2560113 0.85 LMNA (0.48) CYP1A2HPGDSMN1; SMN2ALDH1A1LMNA
SCHEMBL2563131 0.85 CYP1A2 (0.50) P2RX7CYP1A2HPGDALDH1A1KMT2A
SCHEMBL2566570 0.83 HPGD (0.59) P2RX7CYP1A2HPGDALDH1A1LMNA
SCHEMBL2565499 0.82 NPC1 (0.58) CYP1A2HPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL2562980 0.81 CYP1A2 (0.70) P2RX7CYP1A2HPGDSMN1; SMN2ALDH1A1
SCHEMBL6424788 0.78 HPGD (0.46) CYP1A2HPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL2563237 0.78 HDAC1 (0.53) P2RX7CYP1A2TYK2HPGDLMNA
SCHEMBL2575468 0.78 P2RX7 (0.51) P2RX7P2RY12TYK2HPGDSMN1; SMN2
SCHEMBL2560127 0.74 HPGD (0.55) HPGDALDH1A1KMT2A
SCHEMBL2566508 0.74 HPGD (0.61) HPGDLMNAHTTKMT2ANPC1

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
EP-1399416-B1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-11-02 EP claimed
EP-1399416-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2005-12-28 EP claimed
US-6852882-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2005-02-08 US claimed
US-20040157916-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2004-08-12 US claimed
EP-1399416-A2 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2004-03-24 EP claimed
WO-2002098901-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-12-12 WO claimed
EP-1399416-B1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-11-02 EP disclosed
EP-1399416-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2005-12-28 EP disclosed
US-6852882-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2005-02-08 US disclosed
US-20040157916-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2004-08-12 US disclosed
EP-1399416-A2 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2004-03-24 EP disclosed
WO-2002098901-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-12-12 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-20040157916-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 P2RX7 3139/4885P2RY12 3881/4885CYP1A2 4681/4885

“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.