SCHEMBL4768036

SCHEMBL4768036

O=C(O)c1cn(-c2cccc([N+](=O)[O-])c2)[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.47
TP53 P04637 1/20 0.47
TDP1 Q9NUW8 3/20 0.45
SCN2A Q99250 1/20 0.45
MAPT P10636 4/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
MAPK14 Q16539 1/20 0.42
KDM4E B2RXH2 1/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 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
SCHEMBL4765776 0.85 ALDH1A1 (0.44) HPNSCN2AMAPTGAAMEN1
SCHEMBL10999707 0.83 TDP1 (0.45) TDP1SCN2AMAPTGAAMEN1
SCHEMBL10923940 0.82 PDE4B (0.53) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL14221817 0.80 MAPT (0.53) HPNTDP1SCN2AMAPTGAA
SCHEMBL11203388 0.72 ALKBH5 (0.63) HPNTP53SCN2AMAPTGAA
SCHEMBL10923106 0.71 ALDH1A1 (0.40) MAPTGAAMEN1KMT2APOLB
SCHEMBL4354004 0.71 ALKBH5 (0.51) TDP1MAPTGAAMEN1KMT2A
SCHEMBL3589890 0.68 L3MBTL1 (0.51) HPNTP53SCN2AMAPTKMT2A
Dinitrophenylene SCHEMBL27465942 0.67 TSHR (0.81) TP53TDP1MAPTMEN1KMT2A
SCHEMBL8816405 0.67 TP53 (0.96) TP53TDP1MAPTGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309565-B1 HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2008-04-09 EP disclosed
EP-1309565-B1 HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2008-04-09 EP disclosed
US-6878704-B2 Heterocyclic mutilin esters and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2005-04-12 US disclosed
US-20040058937-A1 Heterocyclic mutilin esters and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-25 US 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-20040058937-A1 Heterocyclic mutilin esters and their use as antibacterials MLN, MSH2, MRPL21 HPN 2191/4885TP53 1482/4885TDP1 2294/4885

“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.