SCHEMBL368915

SCHEMBL368915

NCCOS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.52
CA2 P00918 9/20 0.52
CA9 Q16790 7/20 0.52
CA12 O43570 6/20 0.52
CA14 Q9ULX7 5/20 0.52
CA7 P43166 4/20 0.52
CA3 P07451 3/20 0.52
CA4 P22748 3/20 0.52
CA6 P23280 3/20 0.52
CA5A P35218 3/20 0.52
CA13 Q8N1Q1 3/20 0.52
CA5B Q9Y2D0 3/20 0.52
LOXL2 Q9Y4K0 1/20 0.47
F2 P00734 2/20 0.44
PRSS1 P07477 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
IDO1 P14902 2/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 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
SCHEMBL30865768 0.89 CA1 (0.53) CA1CA2CA9CA12CA14
SCHEMBL19127566 0.86 CA1 (0.47) CA1CA2CA9CA12CA14
SCHEMBL10615596 0.84 CA1 (0.48) CA1CA2CA9CA12CA14
SCHEMBL10615554 0.84 CA1 (0.48) CA1CA2CA9CA12CA14
SCHEMBL1759087 0.84 CA1 (0.48) CA1CA2CA9CA12CA14
SCHEMBL27961960 0.83 CA1 (0.44) CA1CA2CA9CA12CA14
SCHEMBL13725706 0.83 CA1 (0.47) CA1CA2CA9CA12CA14
SCHEMBL1759088 0.83 TSHR (0.49) CA1CA2CA9CA12CA14
SCHEMBL1759109 0.83 CA2 (0.47) CA1CA2CA9CA12CA14
SCHEMBL27935675 0.83 CA1 (0.47) CA1CA2CA9CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835685-B2 Process for the preparation of contrast agents BRACCO IMAGING S.P.A. (IT) 2014-09-16 US disclosed
EP-2593423-B1 PROCESS FOR THE PREPARATION OF CONTRAST AGENTS BRACCO IMAGING SPA (IT) 2014-09-03 EP disclosed
US-20130131382-A1 Process For The Preparation Of Contrast Agents BRACCO IMAGING S.P.A. (IT) 2013-05-23 US disclosed
EP-2593423-A1 PROCESS FOR THE PREPARATION OF CONTRAST AGENTS Bracco Imaging S.p.A (IT) 2013-05-22 EP disclosed
WO-2012007547-A1 PROCESS FOR THE PREPARATION OF CONTRAST AGENTS BRACCO IMAGING S.P.A. (IT) 2012-01-19 WO 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-20130131382-A1 Process For The Preparation Of Contrast Agents SLC1A5, SLC30A5, SLC9B2 CA1 1567/4885CA2 1445/4885CA9 350/4885

“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.