SCHEMBL4868067

SCHEMBL4868067

Cc1ccc2nc(NNC(=O)C(C3CCCCCC3)N(O)C=O)nnc2c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.36
HTT P42858 1/20 0.34
OPRK1 P41145 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 5/20 0.32
MEN1 O00255 2/20 0.32
ABCC1 P33527 1/20 0.32
RXFP1 Q9HBX9 2/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
TP53 P04637 1/20 0.32
HTR1E P28566 1/20 0.31
S1PR3 Q99500 1/20 0.31
GAA P10253 1/20 0.31
METAP1 P53582 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
SCHEMBL4870722 0.91 NPC1 (0.30) NPC1RAB9A
SCHEMBL4864472 0.90
SCHEMBL4864197 0.88 NPC1 (0.32) NPC1RAB9A
SCHEMBL1595726 0.84 METAP2 (0.35) METAP2HTTOPRK1NPC1RAB9A
SCHEMBL1595722 0.84 METAP2 (0.35) METAP2HTTOPRK1NPC1RAB9A
SCHEMBL4868147 0.83
SCHEMBL1594867 0.83 KMT2A (0.33) METAP2HTTOPRK1NPC1RAB9A
SCHEMBL1594870 0.83 KMT2A (0.33) METAP2HTTOPRK1NPC1RAB9A
SCHEMBL4861469 0.82 KMT2A (0.34) METAP2HTTKMT2AMEN1RXFP1
SCHEMBL1595620 0.79 METAP2 (0.37) METAP2METAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332485-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORP (US) 2008-02-19 US claimed
US-20060160802-A1 Peptide deformylase inhibitors GLAXO GROUP LIMITED 2006-07-20 US claimed
US-7332485-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORP (US) 2008-02-19 US disclosed
US-20060160802-A1 Peptide deformylase inhibitors GLAXO GROUP LIMITED 2006-07-20 US disclosed
WO-2005005456-A2 PEPTIDE DEFORMYLASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-01-20 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-20060160802-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 METAP2 757/4885HTT 2931/4885OPRK1 4407/4885

“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.