SCHEMBL10044841

SCHEMBL10044841

C=CCN(C)C(=O)c1c(I)c(NC(=O)C(OC(C)=O)C(COC(C)=O)OC(C)=O)c(I)c(C(=O)NCCCC(CCCNC(=O)c2c(I)c(NC(=O)C(OC(C)=O)C(COC(C)=O)OC(C)=O)c(I)c(C(=O)N(C)CC=C)c2I)CCCNC(=O)c2c(I)c(NC(=O)C(OC(C)=O)C(COC(C)=O)OC(C)=O)c(I)c(C(=O)N(C)CC=C)c2I)c1I

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL10044837 0.95 LMNA (0.36) LMNAPOLBMAPK1
SCHEMBL10044842 0.87 LMNA (0.51) LMNAPOLBMAPK1
SCHEMBL10072145 0.86 POLB (0.35) LMNAPOLBMAPK1
SCHEMBL718786 0.86 POLB (0.34) LMNAPOLBMAPK1
SCHEMBL10044844 0.85 LMNA (0.38) LMNA
SCHEMBL10044840 0.82 LMNA (0.52) LMNAPOLBMAPK1
SCHEMBL13360235 0.81 LMNA (0.37) LMNA
SCHEMBL10044849 0.81 LMNA (0.42) LMNA
SCHEMBL709410 0.77 LMNA (0.33) LMNA
SCHEMBL711738 0.77 POLB (0.35) LMNAPOLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124806-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-02-28 US disclosed
US-8124806-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-02-28 US disclosed
US-20090053142-A1 CONTRAST AGENTS WYNN DUNCAN 2009-02-26 US disclosed
US-20090053142-A1 CONTRAST AGENTS WYNN DUNCAN 2009-02-26 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-20090053142-A1 CONTRAST AGENTS IPO4, TPO, IPO11 LMNA 2151/4885POLB 2876/4885MAPK1 1809/4885

“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.