SCHEMBL4359522

SCHEMBL4359522

CCOC(=O)CN1CCN(C(CC(=O)O)C(=O)O)CCN(CC(=O)OCC)Cc2cccc(n2)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTR1A P08908 1/20 0.36
HTR2C P28335 1/20 0.36
TSHR P16473 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ADRA1B P35368 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35

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
SCHEMBL4374792 0.90 BACE1 (0.38) BACE1NPSR1LMNASMN1; SMN2MEN1
SCHEMBL4360997 0.88 BACE1 (0.37) BACE1NPSR1LMNASMN1; SMN2MEN1
SCHEMBL4359589 0.86 SLC6A9 (0.39) LMNAMAPT
SCHEMBL14546793 0.86 BACE1 (0.39) BACE1NPSR1LMNASMN1; SMN2MEN1
SCHEMBL12342862 0.84 MEN1 (0.38) BACE1NPSR1LMNASMN1; SMN2MEN1
SCHEMBL12342823 0.83 MEN1 (0.38) BACE1NPSR1LMNASMN1; SMN2MEN1
SCHEMBL12342853 0.81 MEN1 (0.37) BACE1NPSR1LMNASMN1; SMN2MEN1
SCHEMBL4362890 0.81 ALDH1A1 (0.45) BACE1SMN1; SMN2MEN1KMT2AHTR1A
SCHEMBL4363846 0.80 MAOB (0.41) NPSR1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4364707 0.80 KCNJ1 (0.45) SMN1; SMN2MEN1KMT2AALDH1A1

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-8268810-B2 Lipophilic chelates and their use in imaging GUERBET (FR) 2012-09-18 US disclosed
US-20090214441-A1 Lipophilic Chelates and Their Use in Imaging GUERBET (FR) 2009-08-27 US 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-20090214441-A1 Lipophilic Chelates and Their Use in Imaging SLC40A1, TSPO, SLC47A2 BACE1 3350/4885NPSR1 1345/4885LMNA 2880/4885

“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.