SCHEMBL2563237

SCHEMBL2563237

O=CN(O)CCNC(=O)c1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 2/20 0.46
P2RX7 Q99572 2/20 0.44
CRHR1 P34998 5/20 0.43
CRHR2 Q13324 1/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL2563827 0.84 DDR1 (0.47) HDAC1HDAC6HPGDLMNACYP1A2
SCHEMBL2566570 0.83 HPGD (0.59) HDAC1HDAC6HPGDLMNACYP1A2
SCHEMBL2563131 0.82 CYP1A2 (0.50) HDAC1HDAC6HPGDCYP1A2P2RX7
SCHEMBL2562980 0.81 CYP1A2 (0.70) HDAC1HDAC6HPGDLMNACYP1A2
SCHEMBL2563050 0.78 P2RX7 (0.51) TYK2HPGDLMNACYP1A2P2RX7
SCHEMBL2562330 0.78 POLB (0.64) HDAC1HDAC6LMNAHDAC2HDAC8
SCHEMBL13753890 0.76 JAK2 (0.57) HDAC1HDAC6JAK2JAK1TYK2
SCHEMBL2560113 0.75 LMNA (0.48) HDAC1HDAC6HPGDLMNACYP1A2
SCHEMBL2483079 0.75 JAK2 (0.56) HDAC1HDAC6JAK2JAK1TYK2
SCHEMBL24073216 0.74 ALDH1A1 (0.62) HDAC1HDAC6JAK2JAK1TYK2

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 HDAC1 3270/4885HDAC6 1112/4885JAK2 4045/4885

“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.