SCHEMBL20187616

SCHEMBL20187616

O=C([O-])CN1CCN(CC(=O)[O-])CCN(CC(=O)N(CC(=O)Oc2ccc([N+](=O)[O-])cc2)c2ccccc2)CCN(CC(=O)[O-])CC1.[Gd+3]

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MGLL Q99685 3/20 0.44
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
FAAH O00519 2/20 0.41
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40

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
SCHEMBL22403188 0.92 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MGLLPOLBHTT
SCHEMBL22112586 0.89 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MGLLPOLBHTT
SCHEMBL22069466 0.84 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MGLLPOLBHTT
SCHEMBL20187490 0.83 BCL9 (0.46) ALDH1A1SMN1; SMN2MGLLBCL9CTNNB1
SCHEMBL22069491 0.82 BCL9 (0.44) ALDH1A1SMN1; SMN2MGLLHTTBCL9
SCHEMBL20191177 0.82 BCL9 (0.42) ALDH1A1SMN1; SMN2MGLLBCL9CTNNB1
SCHEMBL20189160 0.82 BCL9 (0.47) ALDH1A1SMN1; SMN2MGLLFAAHBCL9
SCHEMBL20189035 0.80 MEN1 (0.41) ALDH1A1SMN1; SMN2MGLLFAAHBCL9
SCHEMBL22069341 0.79 BCL9 (0.42) ALDH1A1SMN1; SMN2MGLLFAAHBCL9
SCHEMBL20187510 0.78 BCL9 (0.41) ALDH1A1SMN1; SMN2MGLLBCL9CTNNB1

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 ALDH1A1 4666/4885SMN1; SMN2 710/4885MGLL 2365/4885
US-11814369-B2 High relaxivity gadolinium chelate compounds for use in magnetic resonance imaging RXFP1, RXFP2, RXFP3 ALDH1A1 4666/4885SMN1; SMN2 710/4885MGLL 2365/4885
US-10975060-B2 High relaxivity gadolinium chelate compounds for use in magnetic resonance imaging RXFP1, RXFP2, RXFP3 ALDH1A1 4666/4885SMN1; SMN2 710/4885MGLL 2365/4885
US-20210221798-A1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING RXFP1, RXFP2, RXFP3 ALDH1A1 4666/4885SMN1; SMN2 710/4885MGLL 2365/4885

“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.