SCHEMBL6428126

SCHEMBL6428126

O=C(O)CN(CCN(CCN(CC(=O)O)[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)CP(=O)(O)O)[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
APAF1 O14727 1/20 0.47
POLB P06746 1/20 0.47
RECQL P46063 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
MPO P05164 1/20 0.47
TSHR P16473 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
HIF1A Q16665 1/20 0.47
DNMT1 P26358 3/20 0.43
CYP2C19 P33261 1/20 0.42
DNMT3B Q9UBC3 1/20 0.42
PKM P14618 1/20 0.42
ITGB2 P05107 3/20 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
SCHEMBL12222321 1.00 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EMAPTKMT2AAPAF1
SCHEMBL7664427 0.89 SMN1; SMN2 (0.54) SMN1; SMN2KDM4EMAPTKMT2AAPAF1
SCHEMBL7598498 0.89 SMN1; SMN2 (0.59) SMN1; SMN2KDM4EMAPTKMT2AAPAF1
SCHEMBL6430243 0.89 POLB (0.42) SMN1; SMN2KDM4EMAPTKMT2AAPAF1
SCHEMBL7637083 0.86 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EMAPTKMT2AAPAF1
SCHEMBL2985756 0.86 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EMAPTKMT2AAPAF1
SCHEMBL2985752 0.86 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EMAPTKMT2AAPAF1
SCHEMBL30078422 0.84 SMN1; SMN2 (0.62) SMN1; SMN2KDM4EMAPTKMT2AAPAF1
SCHEMBL6428029 0.80 LAP3 (0.43) PKM
SCHEMBL6429966 0.79 LAP3 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1155023-B1 CHELATING COMPOUNDS AND THEIR COMPLEXES WITH PARAMAGNETIC METALS BRACCO SPA (IT) 2005-03-02 EP claimed
JP-2003518131-A 2003-06-03 JP claimed
US-20030013859-A1 CHELATING COMPOUNDS, THEIR COMPLEXES WITH PARAMAGNETIC METALS BRACCO S.P.A. (IT) 2003-01-16 US claimed
EP-1155023-A1 CHELATING COMPOUNDS AND THEIR COMPLEXES WITH PARAMAGNETIC METALS BRACCO S.p.A. (IT) 2001-11-21 EP claimed
WO-2001046207-A1 CHELATING COMPOUNDS, THEIR COMPLEXES WITH PARAMAGNETIC METALS BRACCO S.P.A. (IT) 2001-06-28 WO claimed
EP-1155023-B1 CHELATING COMPOUNDS AND THEIR COMPLEXES WITH PARAMAGNETIC METALS BRACCO SPA (IT) 2005-03-02 EP disclosed
US-6509324-B1 Use as contrast agents in magnetic resonance imaging BRACCO S.P.A. (IT) 2003-01-21 US disclosed
US-20030013859-A1 CHELATING COMPOUNDS, THEIR COMPLEXES WITH PARAMAGNETIC METALS BRACCO S.P.A. (IT) 2003-01-16 US disclosed
EP-1155023-A1 CHELATING COMPOUNDS AND THEIR COMPLEXES WITH PARAMAGNETIC METALS BRACCO S.p.A. (IT) 2001-11-21 EP disclosed
WO-2001046207-A1 CHELATING COMPOUNDS, THEIR COMPLEXES WITH PARAMAGNETIC METALS BRACCO S.P.A. (IT) 2001-06-28 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-20030013859-A1 CHELATING COMPOUNDS, THEIR COMPLEXES WITH PARAMAGNETIC METALS MPI, SLC39A14, LRPPRC SMN1; SMN2 2242/4885KDM4E 3431/4885MAPT 1243/4885

“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.