SCHEMBL10044840

SCHEMBL10044840

CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(=O)Nc1c(I)c(C(=O)NCCC(CCNC(=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(O)CO)c2I)CCNC(=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(O)CO)c2I)c(I)c(C(=O)N(C)CC(O)CO)c1I

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL10044842 0.95 LMNA (0.51) LMNACYP2C19HIF1APOLBMAPK1
SCHEMBL10044845 0.90 LMNA (0.55) LMNACYP2C19HIF1A
SCHEMBL13247467 0.88 LMNA (0.49) LMNACYP2C19HIF1APOLBMAPK1
SCHEMBL3030371 0.87 LMNA (0.49) LMNACYP2C19HIF1APOLBMAPK1
SCHEMBL4149827 0.87 LMNA (0.51) LMNACYP2C19HIF1APOLBMAPK1
SCHEMBL10044837 0.86 LMNA (0.36) LMNAPOLBMAPK1
SCHEMBL10044848 0.82 LMNA (0.61) LMNACYP2C19HIF1A
SCHEMBL10044826 0.82 LMNA (0.58) LMNACYP2C19HIF1A
SCHEMBL10044841 0.82 LMNA (0.35) LMNAPOLBMAPK1
SCHEMBL10044825 0.80 LMNA (0.56) LMNACYP2C19HIF1A

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 5 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
EP-1989179-B1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2011-01-26 EP 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 2151/4885CYP2C19 4077/4885HIF1A 860/4885

“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.