SCHEMBL22014483

SCHEMBL22014483

CCP(=O)(O)CN1CCN(Cc2ccccc2)CCN(CP(=O)(O)CC)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.56
MC4R P32245 1/20 0.53
LMNA P02545 2/20 0.51
POLB P06746 1/20 0.51
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HDAC4 P56524 1/20 0.50
KCNH2 Q12809 1/20 0.50
HDAC1 Q13547 1/20 0.50
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
DRD4 P21917 1/20 0.47
KDM4E B2RXH2 2/20 0.47

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
SCHEMBL22014479 0.86 SIGMAR1 (0.58) SIGMAR1MC4RLMNAPOLBALDH1A1
SCHEMBL22014091 0.83 SIGMAR1 (0.64) SIGMAR1MC4RLMNAPOLBALDH1A1
SCHEMBL22014474 0.81 SIGMAR1 (0.51) SIGMAR1MC4RLMNAALDH1A1SMN1; SMN2
SCHEMBL22014478 0.80 POLB (0.58) SIGMAR1MC4RLMNAPOLBALDH1A1
SCHEMBL22014093 0.79 SIGMAR1 (0.58) SIGMAR1MC4RLMNAPOLBALDH1A1
SCHEMBL14204465 0.79 MAPT (0.56) POLBALDH1A1MAPK1KMT2AKDM4E
SCHEMBL22355488 0.79 SIGMAR1 (0.49) SIGMAR1MC4RLMNAALDH1A1SMN1; SMN2
Methyl Alcohol SCHEMBL27657573 0.77 SIGMAR1 (0.86) SIGMAR1MC4RLMNAPOLBALDH1A1
SCHEMBL7421122 0.77 SIGMAR1 (0.55) SIGMAR1MC4RLMNAPOLBALDH1A1
SCHEMBL8188324 0.75 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.