SCHEMBL22014480

SCHEMBL22014480

NCCCP(=O)(O)CN1CCN(CP(=O)(O)CCCN)CCN(CP(=O)(O)CCCN)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 3/20 0.52
GABBR1 Q9UBS5 3/20 0.52
CYP1A2 P05177 1/20 0.50
TSHR P16473 1/20 0.50
THPO P40225 1/20 0.50
GABRR1 P24046 1/20 0.50
LMNA P02545 2/20 0.48
BLM P54132 2/20 0.48
MAPT P10636 1/20 0.48
CYP3A4 P08684 1/20 0.48
NFKB1 P19838 1/20 0.48
PMP22 Q01453 1/20 0.48
POLB P06746 1/20 0.43

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
SCHEMBL22014478 0.82 POLB (0.58) TSHRLMNAPOLB
SCHEMBL22148267 0.71 MAPT (0.48) CYP1A2MAPT
SCHEMBL11417017 0.71 MAPT (0.48) CYP1A2MAPT
SCHEMBL341290 0.70
SCHEMBL25573647 0.70 MAPT (0.58) MAPTPOLB
SCHEMBL5005864 0.70 S1PR1 (0.42) GABBR2GABBR1GABRR1MAPT
SCHEMBL15445373 0.69 MAPT (0.47) MAPTPOLB
SCHEMBL27304554 0.69 MAPT (0.47) MAPTPOLB
SCHEMBL7645156 0.69
SCHEMBL6544656 0.69 GABBR2 (0.64) GABBR2GABBR1CYP1A2TSHRTHPO

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 GABBR2 4094/4885GABBR1 4313/4885CYP1A2 4589/4885

“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.