SCHEMBL22014467

SCHEMBL22014467

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.54
HDAC4 P56524 4/20 0.54
KCNH2 Q12809 2/20 0.54
HDAC6 Q9UBN7 4/20 0.53
HDAC8 Q9BY41 2/20 0.50
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
RAB9A P51151 1/20 0.45
HIF1A Q16665 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44

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
SCHEMBL22014464 0.84 HDAC6 (0.52) HDAC1HDAC4KCNH2HDAC6HDAC8
SCHEMBL10903263 0.83 HDAC1 (0.52) HDAC1HDAC4KCNH2HDAC6HDAC8
SCHEMBL22014470 0.81 HDAC1 (0.50) HDAC1HDAC4KCNH2HDAC6HDAC8
SCHEMBL22014462 0.80 HDAC1 (0.51) HDAC1HDAC4KCNH2HDAC6HDAC8
SCHEMBL22014460 0.79 KMT2A (0.55) HDAC1HDAC4KCNH2HDAC6HDAC8
SCHEMBL10900938 0.79 CHKA (0.60) HDAC1HDAC4KCNH2HDAC6ALDH1A1
SCHEMBL24462542 0.78 HDAC6 (0.46) HDAC1HDAC4KCNH2HDAC6HDAC8
SCHEMBL24462540 0.78 LMNA (0.52) HDAC1HDAC4HDAC6HDAC8ALDH1A1
SCHEMBL22014468 0.77 HDAC4 (0.57) HDAC1HDAC4KCNH2ALDH1A1KMT2A
SCHEMBL24672913 0.76 HDAC1 (0.46) HDAC1HDAC4KCNH2HDAC6HDAC8

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 HDAC1 785/4885HDAC4 1404/4885KCNH2 1528/4885

“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.