SCHEMBL4368905

SCHEMBL4368905

Nc1ccc(CCC(C(=O)O)N2CCN(CC(=O)O)Cc3cccc(n3)CN(CC(=O)O)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.40
SIGMAR1 Q99720 1/20 0.34
NOS1 P29475 4/20 0.34
NOS3 P29474 3/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC6A9 P48067 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
S1PR1 P21453 1/20 0.33
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PRSS1 P07477 1/20 0.32
SLC6A3 Q01959 1/20 0.32
ACE P12821 1/20 0.32
LMNA P02545 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
SCHEMBL4366090 0.96 ALB (0.39) ALBSIGMAR1NOS1NOS3CHRM2
SCHEMBL6547642 0.87 ALB (0.48) ALBSIGMAR1MEN1KMT2AMAPT
SCHEMBL4360231 0.86 KCNJ1 (0.41) ALBSIGMAR1MAPTALDH1A1LMNA
SCHEMBL4369094 0.83 ALB (0.39) ALBSLC6A9ALDH1A1LMNAKDM4E
SCHEMBL4366967 0.83 ALB (0.36) ALBSLC6A9ACELMNA
SCHEMBL4361540 0.82 KCNJ1 (0.40) ALBSIGMAR1MAPTALDH1A1LMNA
SCHEMBL4372295 0.81 ALB (0.38) ALBSLC6A9ALDH1A1LMNAKDM4E
SCHEMBL4363832 0.81 ALB (0.36) ALBMEN1KMT2AMAPTL3MBTL1
SCHEMBL4359589 0.81 SLC6A9 (0.39) ALBMAPTSLC6A9LMNA
SCHEMBL8656680 0.81 ALB (0.44) ALBSIGMAR1MEN1KMT2AMAPT

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 1926/4885SIGMAR1 1433/4885NOS1 2766/4885

“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.