SCHEMBL5728844

SCHEMBL5728844

[CH2]c1cccc2c([N+](=O)[O-])cccc12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.75
ALDH1A1 P00352 6/20 0.59
GAA P10253 2/20 0.50
POLB P06746 1/20 0.50
CTSB P07858 1/20 0.50
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
GPR35 Q9HC97 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NOS1 P29475 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PNMT P11086 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 2/20 0.43
PARP1 P09874 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL7835243 0.88 TDP1 (0.61) TDP1ALDH1A1GAAPOLBCTSB
SCHEMBL29475175 0.87 TDP1 (1.00) TDP1ALDH1A1GAAPOLBCTSB
SCHEMBL57166 0.87 TDP1 (1.00) TDP1ALDH1A1GAAPOLBCTSB
SCHEMBL28093598 0.84 TDP1 (0.95) TDP1ALDH1A1GAAPOLBCTSB
SCHEMBL5255436 0.81 TDP1 (0.48) TDP1ALDH1A1GAAPOLBCTSB
Methyl Alcohol SCHEMBL28304524 0.80 TDP1 (0.86) TDP1ALDH1A1GAAPOLBCTSB
SCHEMBL5251915 0.79 TDP1 (0.61) TDP1ALDH1A1GAAPOLBCTSB
SCHEMBL20187 0.78 HSD17B10 (0.54) TDP1ALDH1A1GPR35SMN1; SMN2HSD17B10
SCHEMBL7788656 0.77 TDP1 (0.80) TDP1ALDH1A1GAAPOLBCTSB
SCHEMBL566064 0.77 TSHR (0.59) TDP1ALDH1A1GPR35SMN1; SMN2HSD17B10

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0817797-B1 GLYCOPEPTIDE ANTIBIOTIC DERIVATIVES LILLY CO ELI (US) 2006-12-27 EP 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
US-20020042365-A1 Vancomycin analogs TRUSTEES OF PRINCETON UNIVERSITY, THE 2002-04-11 US disclosed
WO-2001081372-A2 VANCOMYCIN ANALOGS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2001-11-01 WO disclosed
EP-0676398-B1 Heterocyclic compounds having anti-diabetic activity, their preparation and their use SANKYO CO (JP) 2001-10-24 EP disclosed
CN-1071334-C Glycopeptide antibiotic derivatives LILLY CO ELI (US) 2001-09-19 CN disclosed
CN-1066729-C Benzimidazole derivatives, their preparation and their therapeutic use SANKYO CO (JP) 2001-06-06 CN disclosed
US-5962470-A Heterocyclic compounds having anti-diabetic activity and their use SANKYO COMPANY, LIMITED (JP) 1999-10-05 US disclosed
US-5886014-A TREATMENT AND/OR PROPHYLAXIS OF A VARIETY OF DISORDERS, INCLUDING HYPERLIPEMIA, HYPERGLYCEMIA, OBESITY, IMPAIRED GLUCOSE TOLERANCE (IGT), INSULIN RESISTANCE AND DIABETIC COMPLICATIONS SANKYO COMPANY, LIMITED (JP) 1999-03-23 US disclosed
US-5840684-A Glycopeptide antibiotic derivatives ELI LILLY AND COMPANY (US) 1998-11-24 US disclosed
US-5834501-A TREATING DIABETES OR HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 1998-11-10 US disclosed
US-5739345-A HYPOGLYCEMIC AND ANTIDIABETIC AGENTS SANKYO COMPANY, LIMITED (JP) 1998-04-14 US disclosed
CN-1157288-A Benzimidazole derivatives, their preparation and their therapeutic use SANKYO CO (JP) 1997-08-20 CN disclosed
US-5624935-A ANTIDIABETIC AGENTS, HYPOGLYCEMIC AGENTS OR ANTILIPEMIC AGENTS SANKYO COMPANY, LIMITED 1997-04-29 US disclosed
EP-0745600-A1 Benzimidazole derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1996-12-04 EP disclosed
CN-1119649-A Glycopeptide antibiotic derivatives LILLY CO ELI (US) 1996-04-03 CN disclosed
EP-0676398-A2 Heterocyclic compounds having anti-diabetic activity, their preparation and their use SANKYO COMPANY LIMITED (JP) 1995-10-11 EP 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 TDP1 2916/4885ALDH1A1 1409/4885GAA 165/4885
US-20020042365-A1 Vancomycin analogs VNN1, PTMS, ASNS TDP1 4793/4885ALDH1A1 4049/4885GAA 735/4885

“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.