SCHEMBL2384416

SCHEMBL2384416

O=C(N[C@H]1CC[C@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)N(C(=O)O)C1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.48
ANPEP P15144 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 2/20 0.46
ATM Q13315 1/20 0.46
TMEM97 Q5BJF2 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
DRD4 P21917 1/20 0.44
MAPT P10636 1/20 0.42
SIGMAR1 Q99720 2/20 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
SCHEMBL2384410 1.00 MMP2 (0.48) MMP2ANPEPTDP1ALDH1A1ATM
SCHEMBL2384406 1.00 MMP2 (0.48) MMP2ANPEPTDP1ALDH1A1ATM
SCHEMBL993806 0.94 MMP2 (0.50) MMP2ANPEPTDP1ALDH1A1ATM
SCHEMBL993807 0.94 MMP2 (0.50) MMP2ANPEPTDP1ALDH1A1ATM
SCHEMBL993809 0.94 MMP2 (0.50) MMP2ANPEPTDP1ALDH1A1ATM
SCHEMBL2384780 0.87 TDP1 (0.46) MMP2ANPEPTDP1ALDH1A1ATM
SCHEMBL2384784 0.87 TDP1 (0.46) MMP2ANPEPTDP1ALDH1A1ATM
SCHEMBL2384773 0.87 TDP1 (0.46) MMP2ANPEPTDP1ALDH1A1ATM
SCHEMBL2386531 0.83 TDP1 (0.42) MMP2ANPEPTDP1ALDH1A1ATM
SCHEMBL2386536 0.83 TDP1 (0.42) MMP2ANPEPTDP1ALDH1A1ATM

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 MMP2 2952/4885ANPEP 1674/4885TDP1 2979/4885

“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.