SCHEMBL22014474

SCHEMBL22014474

O=C(O)CCP(=O)(O)CN1CCN(Cc2ccccc2)CCN(CP(=O)(O)CCC(=O)O)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.51
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HDAC4 P56524 1/20 0.50
KCNH2 Q12809 1/20 0.50
HDAC1 Q13547 1/20 0.50
KMT2A Q03164 3/20 0.48
LMNA P02545 2/20 0.48
HTR1A P08908 1/20 0.47
HTR7 P34969 1/20 0.47
KDM4E B2RXH2 1/20 0.47
FAAH O00519 1/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ATM Q13315 1/20 0.46
MC4R P32245 1/20 0.45

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
SCHEMBL11417017 0.83 MAPT (0.48) ALDH1A1SMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL22148267 0.83 MAPT (0.48) ALDH1A1SMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL22014479 0.82 SIGMAR1 (0.58) SIGMAR1ALDH1A1SMN1; SMN2HDAC4KCNH2
SCHEMBL22014478 0.82 POLB (0.58) SIGMAR1ALDH1A1SMN1; SMN2HDAC4KCNH2
SCHEMBL22014483 0.81 SIGMAR1 (0.56) SIGMAR1ALDH1A1SMN1; SMN2HDAC4KCNH2
SCHEMBL22014091 0.80 SIGMAR1 (0.64) SIGMAR1ALDH1A1SMN1; SMN2HDAC4KCNH2
SCHEMBL14908314 0.77 MAPT (0.42) ALDH1A1KMT2AMEN1
SCHEMBL22039857 0.77 MAPT (0.42) ALDH1A1KMT2AMEN1
SCHEMBL2115134 0.77 KMT2A (0.69) SIGMAR1ALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL14908318 0.77 MAPT (0.42) ALDH1A1SMN1; SMN2KMT2AMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022204065-A1 IRON(III) MACROCYCLIC COMPLEXES WITH MIXED HYROXYL PENDANTS AS MRI CONTRAST AGENTS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-09-29 WO disclosed
US-11344635-B2 Compounds for use as iron (III) MRI contrast agents containing anionic pendents and ancillary groups THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-05-31 US disclosed
WO-2020102820-A1 COMPOUNDS FOR USE AS IRON (III) MRI CONTRAST AGENTS CONTAINING ANIONIC PENDENTS AND ANCILLARY GROUPS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-05-22 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 (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-11344635-B2 Compounds for use as iron (III) MRI contrast agents containing anionic pendents and ancillary groups SLC40A1, TAC3, ABCB7 SIGMAR1 1907/4885ALDH1A1 4407/4885SMN1; SMN2 3358/4885

“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.