SCHEMBL22014312

SCHEMBL22014312

COP(=O)(CN1CCN(Cc2ccccc2)CCN(CP(=O)(OC)c2ccccc2)CC1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.53
MC4R P32245 1/20 0.50
LMNA P02545 2/20 0.49
POLB P06746 2/20 0.49
NPC1 O15118 2/20 0.46
TP53 P04637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
DRD4 P21917 1/20 0.45
HDAC4 P56524 1/20 0.44
KCNH2 Q12809 1/20 0.44
HDAC1 Q13547 1/20 0.44
ACHE P22303 1/20 0.44
RAB9A P51151 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
SCHEMBL22014315 0.91 AOX1 (0.41) SIGMAR1LMNAPOLBMEN1KMT2A
SCHEMBL22014100 0.84 AOX1 (0.37) SIGMAR1LMNAPOLB
SCHEMBL22014093 0.77 SIGMAR1 (0.58) SIGMAR1MC4RLMNAPOLBNPC1
SCHEMBL7421122 0.75 SIGMAR1 (0.55) SIGMAR1MC4RLMNAPOLBNPC1
SCHEMBL22014091 0.74 SIGMAR1 (0.64) SIGMAR1MC4RLMNAPOLBALDH1A1
SCHEMBL2489199 0.73 SIGMAR1 (1.00) SIGMAR1MC4RLMNAPOLBKMT2A
SCHEMBL1415730 0.73 SIGMAR1 (1.00) SIGMAR1MC4RLMNAPOLBKMT2A
SCHEMBL576868 0.73 SIGMAR1 (1.00) SIGMAR1MC4RLMNAPOLBKMT2A
SCHEMBL8188324 0.73 SIGMAR1 (1.00) SIGMAR1MC4RLMNAPOLBKMT2A
SCHEMBL242970 0.73 SIGMAR1 (1.00) SIGMAR1MC4RLMNAPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1907/4885MC4R 1330/4885LMNA 3835/4885

“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.