SCHEMBL4364707

SCHEMBL4364707

CCOC(=O)CN1CCN(C(CCc2ccc([N+](=O)[O-])cc2)C(=O)O)CCN(CC(=O)OCC)Cc2cccc(n2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 5/20 0.45
KCNH2 Q12809 5/20 0.45
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 1/20 0.37
ABCC1 P33527 1/20 0.37
MET P08581 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
MEN1 O00255 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
IRAK1 P51617 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL4365307 0.97 KCNJ1 (0.44) KCNJ1KCNH2RAB9ASMN1; SMN2PTGES
SCHEMBL12342820 0.92 KCNJ1 (0.44) KCNJ1KCNH2RAB9ASMN1; SMN2CHRM5
SCHEMBL12342822 0.89 KCNJ1 (0.43) KCNJ1KCNH2RAB9ASMN1; SMN2CHRM5
SCHEMBL4360231 0.89 KCNJ1 (0.41) KCNJ1KCNH2SMN1; SMN2PTGESALOX5
SCHEMBL4361540 0.85 KCNJ1 (0.40) KCNJ1KCNH2SMN1; SMN2PTGESALOX5
SCHEMBL4374792 0.82 BACE1 (0.38) SMN1; SMN2ALDH1A1KMT2AMEN1SIGMAR1
SCHEMBL4360997 0.80 BACE1 (0.37) SMN1; SMN2ALDH1A1KMT2AMEN1SIGMAR1
SCHEMBL4359522 0.80 BACE1 (0.39) SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL14546793 0.78 BACE1 (0.39) SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL21448731 0.77 KCNJ1 (0.44) KCNJ1KCNH2RAB9ASMN1; SMN2ALDH1A1

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 KCNJ1 693/4885KCNH2 1135/4885RAB9A 663/4885

“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.