SCHEMBL4861469

SCHEMBL4861469

Cc1cccc2nnc(NNC(=O)C(C3CCCCCC3)N(O)C=O)nc12

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
PYGL P06737 2/20 0.33
TSHR P16473 2/20 0.33
SRC P12931 2/20 0.33
EPHX1 P07099 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
P2RX7 Q99572 3/20 0.33
POLB P06746 1/20 0.32
METAP2 P50579 3/20 0.32
METAP1 P53582 1/20 0.32
ELANE P08246 1/20 0.32
HTT P42858 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL4862478 0.92 SRC (0.33) SRC
SCHEMBL4869265 0.90 SRC (0.32) SRC
SCHEMBL1595920 0.84 POLB (0.33) KMT2ATSHRMEN1GAAP2RX7
SCHEMBL1595923 0.84 POLB (0.33) KMT2ATSHRMEN1GAAP2RX7
SCHEMBL1595043 0.83 RXFP1 (0.33) KMT2ATSHRSRCMEN1GAA
SCHEMBL1595047 0.83 RXFP1 (0.33) KMT2ATSHRSRCMEN1GAA
SCHEMBL4868067 0.82 METAP2 (0.36) KMT2AMEN1GAAMETAP2METAP1
SCHEMBL1595628 0.79
SCHEMBL1595634 0.79
SCHEMBL5048304 0.79

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 KMT2A 3860/4885PYGL 2576/4885TSHR 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.