SCHEMBL4669758

SCHEMBL4669758

COc1ccc(CCC(=O)N(C2C(CO)OC(n3cnc4c(N(C)C)ncnc43)C2O)N(C(C(C)C)C(O)c2nnc(C(C)(C)C)o2)C(C(N)=O)n2c(-c3ccccc3)ncc(N)c2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPEPPS P55786 8/20 0.42
ANPEP P15144 7/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 2/20 0.42
CYP3A4 P08684 2/20 0.42
LMNA P02545 1/20 0.42
HIF1A Q16665 1/20 0.42
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PAX8 Q06710 1/20 0.41
CARM1 Q86X55 2/20 0.34
TRDMT1 O14717 1/20 0.34
ADORA2A P29274 2/20 0.33
ADORA2B P29275 2/20 0.33

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
SCHEMBL4669759 0.77 NPEPPS (0.50) NPEPPSANPEPSMN1; SMN2TP53CYP3A4
SCHEMBL26684057 0.66 NPEPPS (0.75) NPEPPSANPEPSMN1; SMN2TP53CYP3A4
SCHEMBL20093523 0.66 NPEPPS (0.75) NPEPPSANPEPSMN1; SMN2TP53CYP3A4
SCHEMBL26684050 0.65 NPEPPS (0.70) NPEPPSANPEPSMN1; SMN2TP53CYP3A4
SCHEMBL27787289 0.62 NPEPPS (0.86) NPEPPSANPEPSMN1; SMN2TP53CYP3A4
SCHEMBL18300018 0.62 NPEPPS (0.81) NPEPPSANPEPSMN1; SMN2TP53CYP3A4
SCHEMBL12799454 0.61 NPEPPS (0.75) NPEPPSANPEPSMN1; SMN2TP53CYP3A4
SCHEMBL14584238 0.61 NPEPPS (0.75) NPEPPSANPEPSMN1; SMN2TP53CYP3A4
SCHEMBL23056386 0.61 NPEPPS (0.82) NPEPPSANPEPSMN1; SMN2TP53CYP3A4
SCHEMBL21391271 0.61 NPEPPS (0.82) NPEPPSANPEPSMN1; SMN2TP53CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080213172-A1 RADIOIMAGING MOIETIES COUPLED TO PEPTIDEASE-BINDING MOIETIES FOR IMAGING TISSUES AND ORGANS THAT EXPRESS PEPTIDASES MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2008-09-04 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-20080213172-A1 RADIOIMAGING MOIETIES COUPLED TO PEPTIDEASE-BINDING MOIETIES FOR IMAGING TISSUES AND ORGANS THAT EXPRESS PEPTIDASES LAP3, DNPEP, ACE NPEPPS 81/4885ANPEP 12/4885SMN1; SMN2 3297/4885

“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.