SCHEMBL20189035

SCHEMBL20189035

O=C([O-])CN1CCN(CC(=O)[O-])CCN(CC(=O)N(CC(=O)Oc2ccc([N+](=O)[O-])cc2)C2CCCC2)CCN(CC(=O)[O-])CC1.[Gd+3]

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
FAAH O00519 1/20 0.39
CCR5 P51681 2/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MGLL Q99685 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL20191177 0.96 BCL9 (0.42) KMT2ACYP1A2CYP2D6BCL9CTNNB1
SCHEMBL22403120 0.92 ALDH1A1 (0.41) MEN1KMT2ACYP1A2CYP2D6BCL9
SCHEMBL23219441 0.88 BCL9 (0.42) KMT2ACYP1A2CYP2D6BCL9CTNNB1
SCHEMBL20199980 0.87 ACHE (0.41) MEN1KMT2ACYP1A2CYP2D6BCL9
SCHEMBL20189160 0.84 BCL9 (0.47) MEN1KMT2ABCL9CTNNB1SMN1; SMN2
SCHEMBL20187490 0.83 BCL9 (0.46) MEN1KMT2ABCL9CTNNB1SMN1; SMN2
SCHEMBL20199801 0.83 ACHE (0.42) KMT2ABCL9CTNNB1SMN1; SMN2LMNA
SCHEMBL22069491 0.82 BCL9 (0.44) KMT2ABCL9CTNNB1SMN1; SMN2LMNA
SCHEMBL22069341 0.81 BCL9 (0.42) KMT2ABCL9CTNNB1SMN1; SMN2LMNA
SCHEMBL22069466 0.80 ALDH1A1 (0.51) SMN1; SMN2LMNAFAAHALDH1A1KDM4E

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 MEN1 89/4885KMT2A 1995/4885CYP1A2 4825/4885
US-11814369-B2 High relaxivity gadolinium chelate compounds for use in magnetic resonance imaging RXFP1, RXFP2, RXFP3 MEN1 89/4885KMT2A 1995/4885CYP1A2 4825/4885
US-10975060-B2 High relaxivity gadolinium chelate compounds for use in magnetic resonance imaging RXFP1, RXFP2, RXFP3 MEN1 89/4885KMT2A 1995/4885CYP1A2 4825/4885
US-20210221798-A1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING RXFP1, RXFP2, RXFP3 MEN1 89/4885KMT2A 1995/4885CYP1A2 4825/4885

“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.