SCHEMBL22014099

SCHEMBL22014099

O=P(O)(O)CN1CCN(Cc2ccccc2CN2CCN(CP(=O)(O)O)CCN(CP(=O)(O)O)CC2)CCN(CP(=O)(O)O)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.53
SIGMAR1 Q99720 2/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 9/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 6/20 0.42
PLA2G1B P04054 1/20 0.41
RAB9A P51151 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
HTT P42858 2/20 0.41
FAAH O00519 2/20 0.40
POLB P06746 1/20 0.40
BACE1 P56817 1/20 0.40

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 0.84 SIGMAR1 (0.64) SIGMAR1KMT2AALDH1A1LMNAKDM4E
SCHEMBL22014097 0.81 HRH3 (0.48) SIGMAR1ALDH1A1LMNAKDM4EPOLB
SCHEMBL11844158 0.79 MPO (0.70) MPOSIGMAR1KMT2AALDH1A1LMNA
SCHEMBL22014096 0.79 SIGMAR1 (0.49) SIGMAR1KMT2AALDH1A1LMNAKDM4E
SCHEMBL22014095 0.78 FAAH (0.55) SIGMAR1ALDH1A1LMNAFAAHPOLB
SCHEMBL23532238 0.77 MAPT (0.52) KMT2AALDH1A1KDM4ERAB9AHTT
SCHEMBL3966649 0.77 MAPT (0.52) KMT2AALDH1A1KDM4ERAB9AHTT
SCHEMBL336769 0.77 MAPT (0.52) KMT2AALDH1A1KDM4ERAB9AHTT
SCHEMBL22014482 0.76 CFTR (0.52) KMT2AALDH1A1HTT
SCHEMBL22014104 0.76 HRH3 (0.56) SIGMAR1FAAH

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 MPO 2074/4885SIGMAR1 1907/4885KMT2A 3561/4885

“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.