SCHEMBL6326722

SCHEMBL6326722

[CH2]c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.66
▸ CA1 P00915 1/20 0.66
▸ CA2 P00918 1/20 0.66
▸ CA7 P43166 1/20 0.66
▸ CA9 Q16790 1/20 0.66
▸ MAOB P27338 1/20 0.64
▸ MAPT P10636 3/20 0.59
▸ PLA2G4B P0C869 1/20 0.58
▸ RAB9A P51151 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ TP53 P04637 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ RECQL P46063 1/20 0.56
▸ CACNA1C Q13936 1/20 0.56
▸ IDO1 P14902 2/20 0.54

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
SCHEMBL28621039 0.91 CA12 (0.76) CA12CA1CA2CA7CA9
SCHEMBL8948956 0.85 CA12 (0.68) CA12CA1CA2CA7CA9
SCHEMBL8948959 0.85 MAOB (0.70) CA12CA1CA2CA7CA9
SCHEMBL31634172 0.83 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL12566978 0.83 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL10651178 0.83 MAOB (0.68) CA12CA1CA2CA7CA9
SCHEMBL5597361 0.83 MAOB (0.68) CA12CA1CA2CA7CA9
SCHEMBL22718882 0.83 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL19308585 0.83 MAOB (0.68) CA12CA1CA2CA7CA9
SCHEMBL1578614 0.83 CA12 (0.66) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6841661-B2 Glycopeptide antibacterial compounds, compositions containing same and methods of using same PRINCETON UNIVERISITY (US) 2005-01-11 — — US disclosed
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
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-6498238-B1 Glycopeptide antibacterial compounds, compositions containing same and methods of using same PRINCETON UNIVERSITY 2002-12-24 — — US 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 CA12 1364/4885CA1 2636/4885CA2 4043/4885
US-20020042365-A1 Vancomycin analogs VNN1, PTMS, ASNS CA12 1118/4885CA1 2361/4885CA2 4310/4885

“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.

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