SCHEMBL2065142

SCHEMBL2065142

O=C(OCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@@H](O)CN1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
ATM Q13315 1/20 0.48
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.40
OPRK1 P41145 1/20 0.39

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
SCHEMBL2065139 1.00 TDP1 (0.50) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL2065141 1.00 TDP1 (0.50) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL9199071 0.91 TDP1 (0.47) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL9204394 0.84 GAA (0.47) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL2385246 0.84 TDP1 (0.45) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL2385254 0.84 TDP1 (0.45) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL2385256 0.84 TDP1 (0.45) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL9844511 0.84 TDP1 (0.45) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL9199020 0.84 TDP1 (0.45) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL2384784 0.83 TDP1 (0.46) TDP1ATMALDH1A1MAPTHPGD

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
US-8178554-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents ALLERGAN PHARMACEUTICALS INTERNATIONAL LIMITED (IE) 2012-05-15 US disclosed
US-8148540-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents ASTRAZENECA (SE) 2012-04-03 US disclosed
US-20110213147-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents AVENTIS PHARMA S.A. 2011-09-01 US disclosed
US-20070299108-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents AVENTIS PHARMA S.A. 2007-12-27 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-20110213147-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA TDP1 2979/4885ATM 4478/4885ALDH1A1 2392/4885
US-20070299108-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA TDP1 2979/4885ATM 4478/4885ALDH1A1 2392/4885

“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.