SCHEMBL5543819

SCHEMBL5543819

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)CBr

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA9 Q16790 3/20 0.48
CA2 P00918 1/20 0.47
MGLL Q99685 1/20 0.42
KDM5A P29375 3/20 0.42
PHF8 Q9UPP1 3/20 0.42
ZDHHC20 Q5W0Z9 2/20 0.42
KDM4C Q9H3R0 2/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
DNM1 Q05193 3/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP8 P22894 1/20 0.41
FAAH O00519 2/20 0.40
CES2 O00748 3/20 0.39
CES1 P23141 3/20 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
SCHEMBL26313193 1.00 CA12 (0.48) CA12CA1CA9CA2MGLL
SCHEMBL7609631 1.00 CA12 (0.48) CA12CA1CA9CA2MGLL
SCHEMBL5427583 1.00 CA12 (0.48) CA12CA1CA9CA2MGLL
SCHEMBL4997835 0.91 CA12 (0.58) CA12CA1CA9CA2KDM5A
SCHEMBL7611421 0.89 FAAH (0.57) MMP2FAAH
SCHEMBL7611413 0.89 FAAH (0.57) MMP2FAAH
SCHEMBL4995204 0.85 CA12 (0.52) CA12CA1CA9CA2KDM5A
SCHEMBL22683217 0.83 CA12 (0.48) CA12CA1CA9CA2MGLL
SCHEMBL13844086 0.83 CA12 (0.61) CA12CA1CA9CA2MGLL
SCHEMBL23010518 0.82 CA12 (0.38) CA12CA1CA9CA2MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1806350-A2 Amphipatic polycarboxylic chelates and complexes with paramagnetic metals as MRI contrast agents BRACCO International B.V. (NL) 2007-07-11 EP disclosed
US-6652834-B2 Tensioactive properties, long lasting activity in the blood pool BRACCO INTERNATIONAL B.V. (NL) 2003-11-25 US disclosed
US-20020098152-A1 Amphipatic polycarboxylic chelates and complexes with paramagnetic metals as MRI contrast agents BRACCO INTERNATIONAL B.V. 2002-07-25 US disclosed
US-6342598-B1 BLOOD-POOL CONTRAST AGENTS OF OUTSTANDING LONG LIFE IN CIRCULATION BRACCO INTERNATIONAL B.V. (NL) 2002-01-29 US disclosed
EP-1153029-A2 AMPHIPATIC POLYCARBOXYLIC CHELATES AND COMPLEXES WITH PARAMAGNETIC METALS AS MRI CONTRAST AGENTS BRACCO INTERNATIONAL B.V. (NL) 2001-11-14 EP disclosed
WO-2000030688-A2 AMPHIPATIC POLYCARBOXYLIC CHELATES AND COMPLEXES WITH PARAMAGNETIC METALS AS MRI CONTRAST AGENTS BRACCO INTERNATIONAL B.V. (NL) 2000-06-02 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-20020098152-A1 Amphipatic polycarboxylic chelates and complexes with paramagnetic metals as MRI contrast agents SLC39A14, HAMP, PICALM CA12 674/4885CA1 589/4885CA9 976/4885

“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.