SCHEMBL22014464

SCHEMBL22014464

C[C@H](O)CN1CCN(Cc2ccc(C(=O)NCP(=O)(O)O)cc2)CCN(C[C@H](C)O)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.52
HDAC1 Q13547 5/20 0.50
HDAC4 P56524 3/20 0.50
KCNH2 Q12809 2/20 0.50
HDAC8 Q9BY41 1/20 0.49
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.46
TSHR P16473 2/20 0.46
KDM4E B2RXH2 1/20 0.44
CHRM1 P11229 1/20 0.43
HTR2A P28223 1/20 0.43
MCHR1 Q99705 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 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
SCHEMBL24462542 0.87 HDAC6 (0.46) HDAC6HDAC1HDAC4KCNH2HDAC8
SCHEMBL22014467 0.84 HDAC1 (0.54) HDAC6HDAC1HDAC4KCNH2HDAC8
SCHEMBL22014460 0.83 KMT2A (0.55) HDAC6HDAC1HDAC4KCNH2HDAC8
SCHEMBL24673213 0.80 PGK1 (0.45) HDAC6HDAC1HDAC4KCNH2HDAC8
SCHEMBL10903263 0.79 HDAC1 (0.52) HDAC6HDAC1HDAC4KCNH2HDAC8
SCHEMBL24462535 0.79 LMNA (0.48) HDAC6HDAC1HDAC4HDAC8KMT2A
SCHEMBL10900938 0.78 CHKA (0.60) HDAC6HDAC1HDAC4KCNH2KMT2A
SCHEMBL24672959 0.78 HDAC6 (0.43) HDAC6HDAC1HDAC4KCNH2HDAC8
SCHEMBL22014462 0.76 HDAC1 (0.51) HDAC6HDAC1HDAC4KCNH2HDAC8
SCHEMBL22014470 0.75 HDAC1 (0.50) HDAC6HDAC1HDAC4KCNH2HDAC8

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 HDAC6 1585/4885HDAC1 785/4885HDAC4 1404/4885

“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.