SCHEMBL22014478

SCHEMBL22014478

NCCCP(=O)(O)CN1CCN(Cc2ccccc2)CCN(CP(=O)(O)CCCN)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
SIGMAR1 Q99720 3/20 0.50
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 1/20 0.46
HDAC4 P56524 1/20 0.46
KCNH2 Q12809 1/20 0.46
HDAC1 Q13547 1/20 0.46
MC4R P32245 1/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 1/20 0.43
CCR3 P51677 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
SCHEMBL22014474 0.82 SIGMAR1 (0.51) SIGMAR1ALDH1A1SMN1; SMN2TSHRHDAC4
SCHEMBL22014480 0.82 GABBR2 (0.52) POLBTSHRLMNA
SCHEMBL22014479 0.81 SIGMAR1 (0.58) POLBSIGMAR1ALDH1A1SMN1; SMN2HDAC4
SCHEMBL22014483 0.80 SIGMAR1 (0.56) POLBSIGMAR1ALDH1A1SMN1; SMN2HDAC4
SCHEMBL22014091 0.79 SIGMAR1 (0.64) POLBSIGMAR1ALDH1A1SMN1; SMN2HDAC4
SCHEMBL2349803 0.76 POLB (0.97) POLBSMN1; SMN2TSHRMAPK1
SCHEMBL22014093 0.75 SIGMAR1 (0.58) POLBSIGMAR1ALDH1A1SMN1; SMN2HDAC4
SCHEMBL22355488 0.74 SIGMAR1 (0.49) SIGMAR1ALDH1A1SMN1; SMN2HDAC4KCNH2
SCHEMBL544347 0.74 SIGMAR1 (0.74) SIGMAR1MC4RCCR3
SCHEMBL2952612 0.74 POLB (0.70) POLBTSHRLMNA

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 POLB 3940/4885SIGMAR1 1907/4885ALDH1A1 4407/4885

“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.