SCHEMBL2386531

SCHEMBL2386531

C=CCOC(=O)NC1CCC(C(=O)OCc2ccc([N+](=O)[O-])cc2)N(C(=O)O)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
EPHX1 P07099 1/20 0.41
ATM Q13315 1/20 0.41
TGM2 P21980 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
F13A1 P00488 2/20 0.37
TGM1 P22735 2/20 0.37
CCR5 P51681 3/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSK P43235 1/20 0.37
MMP2 P08253 1/20 0.36
ANPEP P15144 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL2386526 1.00 TDP1 (0.42) TDP1EPHX1ATMTGM2ALDH1A1
SCHEMBL2386536 1.00 TDP1 (0.42) TDP1EPHX1ATMTGM2ALDH1A1
SCHEMBL2384784 0.85 TDP1 (0.46) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL2384773 0.85 TDP1 (0.46) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL2384780 0.85 TDP1 (0.46) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL2384416 0.83 MMP2 (0.48) TDP1ATMALDH1A1MAPTMMP2
SCHEMBL2384406 0.83 MMP2 (0.48) TDP1ATMALDH1A1MAPTMMP2
SCHEMBL2384410 0.83 MMP2 (0.48) TDP1ATMALDH1A1MAPTMMP2
SCHEMBL2065139 0.79 TDP1 (0.50) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL2065141 0.79 TDP1 (0.50) 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 2 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 2979/4885EPHX1 2776/4885ATM 4478/4885

“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.