SCHEMBL6750951

SCHEMBL6750951

[CH2]c1ccc(Oc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
HPGD P15428 1/20 0.57
ALDH1A1 P00352 5/20 0.55
TDP1 Q9NUW8 2/20 0.55
LTA4H P09960 2/20 0.55
PTGS1 P23219 1/20 0.55
PTGS2 P35354 1/20 0.55
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
RECQL P46063 1/20 0.53
HSPB1 P04792 1/20 0.50
KMT2A Q03164 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 2/20 0.48
ESR2 Q92731 1/20 0.47
MEN1 O00255 3/20 0.46
MAPT P10636 1/20 0.46
TTR P02766 1/20 0.45
ALB P02768 1/20 0.45
THRB P10828 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
SCHEMBL238962 0.87 L3MBTL1 (0.62) L3MBTL1HPGDALDH1A1TDP1LTA4H
2,4'-Oxybis(Nitrobenzene) SCHEMBL9474586 0.86 HSPB1 (0.62) L3MBTL1HPGDALDH1A1TDP1LTA4H
SCHEMBL1283885 0.86 HSPB1 (0.67) L3MBTL1HPGDALDH1A1TDP1LTA4H
SCHEMBL8695351 0.84 L3MBTL1 (0.60) L3MBTL1HPGDALDH1A1TDP1LTA4H
SCHEMBL641831 0.84 HPGD (0.65) L3MBTL1HPGDALDH1A1TDP1LTA4H
SCHEMBL7021137 0.84 L3MBTL1 (0.56) L3MBTL1HPGDALDH1A1TDP1LTA4H
SCHEMBL2649297 0.84 L3MBTL1 (0.70) L3MBTL1HPGDALDH1A1TDP1LTA4H
SCHEMBL7123876 0.84 L3MBTL1 (0.56) L3MBTL1HPGDALDH1A1TDP1LTA4H
SCHEMBL10944795 0.84 L3MBTL1 (0.56) L3MBTL1HPGDALDH1A1TDP1LTA4H
SCHEMBL29467788 0.84 ALDH1A1 (0.65) L3MBTL1HPGDALDH1A1TDP1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110665-A1 Desleucyl glycopeptide antibiotics and methods of making same KAHNE DANIEL (US) 2004-06-10 US disclosed
US-6699836-B2 Vancomycin analogs THE TRUSTEES OF PRINCETON UNIVERSITY 2004-03-02 US disclosed
EP-0667353-B1 Glycopeptide antibiotic derivatives LILLY CO ELI (US) 2003-10-29 EP disclosed
EP-1016670-B1 Glycopeptide antibiotic derivatives LILLY CO ELI (US) 2003-09-03 EP disclosed
US-6518243-B1 Desleucyl glycopeptide antibiotics and methods of making same TRUSTEES OF PRINCETON UNIVERSITY 2003-02-11 US disclosed
EP-1173193-A4 DESLEUCYL GLYCOPEPTIDE ANTIBIOTICS AND METHODS OF MAKING SAME UNIV PRINCETON (US) 2003-01-29 EP disclosed
US-20020042365-A1 Vancomycin analogs TRUSTEES OF PRINCETON UNIVERSITY, THE 2002-04-11 US disclosed
EP-1173193-A1 DESLEUCYL GLYCOPEPTIDE ANTIBIOTICS AND METHODS OF MAKING SAME The Trustees of Princeton University (US) 2002-01-23 EP disclosed
CN-1071334-C Glycopeptide antibiotic derivatives LILLY CO ELI (US) 2001-09-19 CN disclosed
WO-2000059528-A1 DESLEUCYL GLYCOPEPTIDE ANTIBIOTICS AND METHODS OF MAKING SAME THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2000-10-12 WO disclosed
EP-1016670-A1 Glycopeptide antibiotic derivatives ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
US-5977062-A ACTIVE AGAINST ANTIBIOTIC RESISTANT BACTERIA ELI LILLY AND COMPANY (US) 1999-11-02 US disclosed
CN-1119649-A Glycopeptide antibiotic derivatives LILLY CO ELI (US) 1996-04-03 CN 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 (2 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-20040110665-A1 Desleucyl glycopeptide antibiotics and methods of making same FUT6, FUT5, ST6GAL1 L3MBTL1 190/4885HPGD 3989/4885ALDH1A1 1409/4885
US-20020042365-A1 Vancomycin analogs VNN1, PTMS, ASNS L3MBTL1 386/4885HPGD 1233/4885ALDH1A1 4049/4885

“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.