SCHEMBL22069474

SCHEMBL22069474

CCN(CC(=O)NCC(CNC(=O)CN(CC)C(=O)CN1CCN(CC(=O)[O-])CCN(CC(=O)[O-])CCN(CC(=O)[O-])CC1)(CNC(=O)CN(CC)C(=O)CN1CCN(CC(=O)[O-])CCN(CC(=O)[O-])CCN(CC(=O)[O-])CC1)CNC(=O)CN(CC)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.[Gd+3].[Gd+3].[Gd+3].[Gd+3]

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 2/20 0.36
MDM2 Q00987 1/20 0.36
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
NAMPT P43490 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL22069400 0.87 KMT2A (0.40) KMT2AMEN1KDM4EMDM2ALDH1A1
SCHEMBL22069453 0.86 NPSR1 (0.31) KMT2AMEN1
SCHEMBL22069502 0.86 KDM4E (0.31) KMT2AMEN1KDM4EALDH1A1NAMPT
SCHEMBL30741642 0.84 HSD17B10 (0.36) ALDH1A1TDP1POLB
SCHEMBL22069348 0.84 ALDH1A1 (0.35) KMT2AMEN1ALDH1A1POLBSIGMAR1
SCHEMBL30741640 0.81 ALDH1A1 (0.31) ALDH1A1
SCHEMBL23656479 0.81 KMT2A (0.37) KMT2AMEN1KDM4EMDM2ALDH1A1
SCHEMBL22069494 0.80 MCHR1 (0.40) KMT2AMEN1KDM4EALDH1A1L3MBTL1
SCHEMBL30741641 0.80 ALDH1A1 (0.36) KDM4EALDH1A1SIGMAR1
SCHEMBL20200022 0.80 KMT2A (0.36) KMT2AMEN1KDM4EMDM2ALDH1A1

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 2 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
EP-3544964-B1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING Bayer Pharma AG (DE) 2020-06-17 EP claimed

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-11814369-B2 High relaxivity gadolinium chelate compounds for use in magnetic resonance imaging RXFP1, RXFP2, RXFP3 KMT2A 1995/4885MEN1 89/4885KDM4E 1649/4885

“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.