SCHEMBL4366090

SCHEMBL4366090

Nc1ccc(CCC(C(=O)O)N2CCN(CC(=O)O)CCN(CC(=O)O)Cc3cccc(n3)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.39
NOS1 P29475 4/20 0.35
NOS3 P29474 3/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
SLC6A9 P48067 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
S1PR1 P21453 1/20 0.34
HTT P42858 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TACR1 P25103 1/20 0.32
FOLH1 Q04609 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
F2 P00734 1/20 0.32

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
SCHEMBL4368905 0.96 ALB (0.40) ALBNOS1NOS3CHRM2CHRM4
SCHEMBL4361540 0.87 KCNJ1 (0.40) ALBMAPTALDH1A1SIGMAR1KDM4E
SCHEMBL4363832 0.85 ALB (0.36) ALBSLC6A9KMT2AMEN1MAPT
SCHEMBL6547642 0.85 ALB (0.48) ALBSLC6A9KMT2AMEN1MAPT
SCHEMBL1673149 0.84 SLC6A9 (0.39) ALBSLC6A9ALDH1A1TACR1FOLH1
SCHEMBL18709168 0.83 SLC6A9 (0.37) ALBSLC6A9KMT2AMEN1TACR1
SCHEMBL4360231 0.82 KCNJ1 (0.41) ALBMAPTALDH1A1SIGMAR1KDM4E
SCHEMBL14511380 0.82 F10 (0.34) MAPTALDH1A1S1PR1KDM4EPOLB
SCHEMBL4371417 0.80 S1PR1 (0.41) ALBKMT2AMEN1MAPTS1PR1
SCHEMBL4369094 0.80 ALB (0.39) ALBSLC6A9ALDH1A1TACR1FOLH1

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 ALB 1926/4885NOS1 2766/4885NOS3 2289/4885

“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.