SCHEMBL20200046

SCHEMBL20200046

CN(CC(=O)NCC(CNC(=O)CN(C)C(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)(CNC(=O)CN(C)C(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)CNC(=O)CN(C)C(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.33
DRD4 P21917 2/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
SIGMAR1 Q99720 2/20 0.32

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
SCHEMBL24186639 0.96 ALDH1A1 (0.34) ALDH1A1MEN1POLBKMT2AHSD17B10
SCHEMBL22403271 0.92 ALDH1A1 (0.32) ALDH1A1MEN1POLBKMT2A
SCHEMBL24186362 0.88
SCHEMBL22069348 0.86 ALDH1A1 (0.35) ALDH1A1MEN1POLBKMT2ASIGMAR1
SCHEMBL24186631 0.85 SIGMAR1 (0.34) ALDH1A1MEN1POLBKMT2ASIGMAR1
SCHEMBL24186638 0.84 ALDH1A1 (0.30) ALDH1A1
SCHEMBL22069400 0.83 KMT2A (0.40) ALDH1A1MEN1KMT2AHSD17B10SIGMAR1
SCHEMBL24186361 0.83
SCHEMBL22069315 0.82 ALDH1A1 (0.32) ALDH1A1HSD17B10SIGMAR1
SCHEMBL22112077 0.81

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 12 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 claimed
US-20210221798-A1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-07-22 US claimed
US-10975060-B2 High relaxivity gadolinium chelate compounds for use in magnetic resonance imaging BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-04-13 US claimed
US-20200283420-A1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-09-10 US claimed
EP-3544964-B1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING Bayer Pharma AG (DE) 2020-06-17 EP claimed
US-11814369-B2 High relaxivity gadolinium chelate compounds for use in magnetic resonance imaging BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-11-14 US disclosed
US-20220008562-A1 FORMULATION OF CONTRAST MEDIA AND PROCESS OF PREPARATION THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-01-13 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
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 (5 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 4666/4885MEN1 89/4885POLB 4587/4885
US-20220008562-A1 FORMULATION OF CONTRAST MEDIA AND PROCESS OF PREPARATION THEREOF RXFP3, SLC39A3, F12 ALDH1A1 3805/4885MEN1 9/4885POLB 3455/4885
US-11814369-B2 High relaxivity gadolinium chelate compounds for use in magnetic resonance imaging RXFP1, RXFP2, RXFP3 ALDH1A1 4666/4885MEN1 89/4885POLB 4587/4885
US-10975060-B2 High relaxivity gadolinium chelate compounds for use in magnetic resonance imaging RXFP1, RXFP2, RXFP3 ALDH1A1 4666/4885MEN1 89/4885POLB 4587/4885
US-20210221798-A1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING RXFP1, RXFP2, RXFP3 ALDH1A1 4666/4885MEN1 89/4885POLB 4587/4885

“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.