SCHEMBL2566261

SCHEMBL2566261

O=C(NCCNO)c1cc(Br)ccc1Cl

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.69
CYP1A2 P05177 1/20 0.68
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49
P2RX7 Q99572 1/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
THRB P10828 1/20 0.46
HTT P42858 1/20 0.46
GAA P10253 2/20 0.46
POLB P06746 1/20 0.46
RECQL P46063 1/20 0.46
LMNA P02545 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL2559902 0.84 ALDH1A1 (0.62) HPGDCYP1A2NPC1P2RX7KMT2A
SCHEMBL21177347 0.83 HPGD (0.68) HPGDCYP1A2MAPTP2RX7KMT2A
SCHEMBL21177405 0.82 HPGD (0.66) HPGDCYP1A2MAPTP2RX7KMT2A
SCHEMBL2564944 0.81 HPGD (0.61) HPGDCYP1A2MAPTP2RX7KMT2A
SCHEMBL7223858 0.81 HPGD (0.68) HPGDCYP1A2MAPTP2RX7KMT2A
SCHEMBL20694515 0.79 HPGD (0.62) HPGDCYP1A2MAPTP2RX7KMT2A
SCHEMBL21977975 0.79 HPGD (0.78) HPGDCYP1A2MAPTKMT2AALDH1A1
SCHEMBL5111555 0.79 P2RX7 (0.66) HPGDCYP1A2NPC1P2RX7KMT2A
SCHEMBL9778626 0.78 ALDH1A1 (0.68) HPGDCYP1A2MAPTKMT2AALDH1A1
SCHEMBL2562980 0.77 CYP1A2 (0.70) HPGDCYP1A2MAPTNPC1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HPGD 2537/4885CYP1A2 4681/4885MAPT 3716/4885

“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.