SCHEMBL6748077

SCHEMBL6748077

[CH2]c1ccc(Oc2cccc(Cl)c2)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
PDE7A Q13946 1/20 0.53
EPAS1 Q99814 2/20 0.52
ALDH1A1 P00352 5/20 0.49
LMNA P02545 3/20 0.49
CHEK2 O96017 1/20 0.48
TBXA2R P21731 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TDP1 Q9NUW8 3/20 0.44
TTR P02766 1/20 0.44
ALB P02768 1/20 0.44
THRB P10828 1/20 0.44
HSPB1 P04792 1/20 0.42
HPSE Q9Y251 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 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
SCHEMBL3845633 0.84 MEN1 (0.67) MAPTMEN1KMT2APDE7AEPAS1
SCHEMBL6746181 0.84 PDE7A (0.65) MAPTMEN1KMT2APDE7AALDH1A1
SCHEMBL14744331 0.82 MEN1 (0.61) MAPTMEN1KMT2APDE7AEPAS1
SCHEMBL3928064 0.81 MAPT (0.74) MAPTMEN1KMT2APDE7AEPAS1
SCHEMBL6748915 0.80 MAPT (0.47) MAPTMEN1KMT2AEPAS1ALDH1A1
SCHEMBL2020498 0.78 PDE7A (0.73) MAPTMEN1KMT2APDE7AALDH1A1
SCHEMBL31090820 0.78 PDE7A (0.73) MAPTMEN1KMT2APDE7AALDH1A1
SCHEMBL31009444 0.78 MEN1 (0.56) MAPTMEN1KMT2APDE7AEPAS1
SCHEMBL6748042 0.77 HPGD (0.69) MAPTMEN1KMT2APDE7AALDH1A1
SCHEMBL2529627 0.77 ALDH1A1 (0.67) MAPTMEN1KMT2APDE7AEPAS1

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 12 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
WO-2001081372-A2 VANCOMYCIN ANALOGS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2001-11-01 WO 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

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 MAPT 4049/4885MEN1 1692/4885KMT2A 3866/4885
US-20020042365-A1 Vancomycin analogs VNN1, PTMS, ASNS MAPT 4344/4885MEN1 1737/4885KMT2A 3844/4885

“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.