SCHEMBL22014096

SCHEMBL22014096

O=P(O)(O)CN1CCN(Cc2cccc(CN3CCN(CP(=O)(O)O)CCN(CP(=O)(O)O)CC3)c2)CCN(CP(=O)(O)O)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.49
PRMT6 Q96LA8 1/20 0.49
PTPN2 P17706 1/20 0.47
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HIF1A Q16665 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NCF1 P14598 1/20 0.45
ALDH1A1 P00352 4/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL22014091 0.88 SIGMAR1 (0.64) SIGMAR1SMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL22014097 0.85 HRH3 (0.48) SIGMAR1SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL22014104 0.81 HRH3 (0.56) SIGMAR1CYP2D6
SCHEMBL22014095 0.79 FAAH (0.55) SIGMAR1CYP2D6SMN1; SMN2LMNATSHR
SCHEMBL22014099 0.79 MPO (0.53) SIGMAR1LMNAKMT2AALDH1A1HTT
SCHEMBL22355488 0.76 SIGMAR1 (0.49) SIGMAR1SMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL24672659 0.75 PGK1 (0.47) PTPN2CYP2D6CYP2C9TSHRL3MBTL1
SCHEMBL336769 0.74 MAPT (0.52) MEN1MAPK1KMT2AALDH1A1HTT
SCHEMBL23532238 0.74 MAPT (0.52) MEN1MAPK1KMT2AALDH1A1HTT
SCHEMBL3966649 0.74 MAPT (0.52) MEN1MAPK1KMT2AALDH1A1HTT

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 1907/4885PRMT6 2772/4885PTPN2 2353/4885

“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.