SCHEMBL20189046

SCHEMBL20189046

CCOCCN(CC(=O)Oc1ccc([N+](=O)[O-])cc1)C(=O)CN1CCN(CC(=O)[O-])CCN(CC(=O)[O-])CCN(CC(=O)[O-])CC1.[Gd+3]

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.43
CTNNB1 P35222 1/20 0.43
KMT2A Q03164 4/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 3/20 0.37
KCNH2 Q12809 2/20 0.37
MGLL Q99685 2/20 0.37
FAAH O00519 1/20 0.37
HTT P42858 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
KCNJ1 P48048 1/20 0.36
MEN1 O00255 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
SCHEMBL20187510 0.91 BCL9 (0.41) BCL9CTNNB1KMT2AMAPTSMN1; SMN2
SCHEMBL22403204 0.91 BCL9 (0.44) BCL9CTNNB1KMT2AMAPTSMN1; SMN2
SCHEMBL22112107 0.91 BCL9 (0.43) BCL9CTNNB1KMT2AMAPTSMN1; SMN2
SCHEMBL20189160 0.89 BCL9 (0.47) BCL9CTNNB1KMT2AMAPTSMN1; SMN2
SCHEMBL22069341 0.85 BCL9 (0.42) BCL9CTNNB1KMT2AMAPTSMN1; SMN2
SCHEMBL20187490 0.83 BCL9 (0.46) BCL9CTNNB1KMT2AMAPTSMN1; SMN2
SCHEMBL22403270 0.83 BCL9 (0.42) BCL9CTNNB1KMT2AMAPTSMN1; SMN2
SCHEMBL22069466 0.82 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1MGLLFAAHHTT
SCHEMBL22069491 0.81 BCL9 (0.44) BCL9CTNNB1KMT2AMAPTSMN1; SMN2
SCHEMBL22403174 0.80 BCL9 (0.48) BCL9CTNNB1KMT2AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814369-B2 High relaxivity gadolinium chelate compounds for use in magnetic resonance imaging BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-11-14 US disclosed
US-20210221798-A1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-07-22 US disclosed
US-10975060-B2 High relaxivity gadolinium chelate compounds for use in magnetic resonance imaging BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-04-13 US disclosed
US-20200283420-A1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-09-10 US disclosed
EP-3544964-B1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING Bayer Pharma AG (DE) 2020-06-17 EP disclosed
EP-3544964-A1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING Bayer Pharma Aktiengesellschaft (DE) 2019-10-02 EP disclosed
WO-2018096082-A1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 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 (4 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-20200283420-A1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING RXFP1, RXFP2, RXFP3 BCL9 4643/4885CTNNB1 4874/4885KMT2A 1995/4885
US-11814369-B2 High relaxivity gadolinium chelate compounds for use in magnetic resonance imaging RXFP1, RXFP2, RXFP3 BCL9 4643/4885CTNNB1 4874/4885KMT2A 1995/4885
US-10975060-B2 High relaxivity gadolinium chelate compounds for use in magnetic resonance imaging RXFP1, RXFP2, RXFP3 BCL9 4643/4885CTNNB1 4874/4885KMT2A 1995/4885
US-20210221798-A1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING RXFP1, RXFP2, RXFP3 BCL9 4643/4885CTNNB1 4874/4885KMT2A 1995/4885

“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.