SCHEMBL22014097

SCHEMBL22014097

O=P(O)(O)CN1CCN(Cc2ccc(CN3CCN(CP(=O)(O)O)CCN(CP(=O)(O)O)CC3)cc2)CCN(CP(=O)(O)O)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.48
SIGMAR1 Q99720 2/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC4 P56524 1/20 0.47
KCNH2 Q12809 1/20 0.47
HDAC6 Q9UBN7 2/20 0.46
HDAC8 Q9BY41 1/20 0.46
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL22014104 0.94 HRH3 (0.56) HRH3SIGMAR1HDAC1HDAC4KCNH2
SCHEMBL22014091 0.91 SIGMAR1 (0.64) SIGMAR1HDAC1HDAC4KCNH2ALDH1A1
SCHEMBL22014095 0.88 FAAH (0.55) HRH3SIGMAR1HDAC1HDAC4KCNH2
SCHEMBL22014096 0.85 SIGMAR1 (0.49) SIGMAR1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL22014485 0.84 HRH3 (0.47) HRH3HRH4
SCHEMBL22014099 0.81 MPO (0.53) SIGMAR1ALDH1A1LMNAPOLBKDM4E
SCHEMBL23532238 0.80 MAPT (0.52) ALDH1A1POLBKDM4E
SCHEMBL3966649 0.80 MAPT (0.52) ALDH1A1POLBKDM4E
SCHEMBL336769 0.80 MAPT (0.52) ALDH1A1POLBKDM4E
SCHEMBL22355488 0.79 SIGMAR1 (0.49) SIGMAR1HDAC1HDAC4KCNH2ALDH1A1

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 HRH3 2695/4885SIGMAR1 1907/4885HDAC1 785/4885

“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.