SCHEMBL682139

SCHEMBL682139

CC(=O)N(CC(O)CCCCC(O)CN(C(C)=O)c1c(I)c(C(=O)N(C)CC(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I)c1c(I)c(C(=O)N(C)CC(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.58
HIF1A Q16665 1/20 0.58
LMNA P02545 3/20 0.55
TYMP P19971 1/20 0.31
CYP2C9 P11712 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
SCHEMBL3425136 0.92 LMNA (0.63) CYP2C19HIF1ALMNATYMPCYP2C9
SCHEMBL12917625 0.89 CYP2C19 (0.58) CYP2C19HIF1ALMNATYMPCYP2C9
SCHEMBL682135 0.87 CYP2C19 (0.57) CYP2C19HIF1ALMNATYMP
SCHEMBL682177 0.86 CYP2C19 (0.56) CYP2C19HIF1ALMNATYMPCYP2C9
SCHEMBL11148896 0.86 CYP2C19 (0.55) CYP2C19HIF1ALMNATYMP
SCHEMBL9561418 0.85 CYP2C19 (0.47) CYP2C19HIF1ALMNA
SCHEMBL682403 0.85 CYP2C19 (0.55) CYP2C19HIF1ALMNA
SCHEMBL682336 0.84 LMNA (0.52) CYP2C19HIF1ALMNACYP2C9
SCHEMBL18084232 0.83 LMNA (0.83) CYP2C19HIF1ALMNA
SCHEMBL12917628 0.82 CYP2C19 (0.51) CYP2C19HIF1ALMNATYMP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8535642-B2 Contrast agents GE HEALTHCARE AS (NO) 2013-09-17 US disclosed
US-8535642-B2 Contrast agents GE HEALTHCARE AS (NO) 2013-09-17 US disclosed
US-8535642-B2 Contrast agents GE HEALTHCARE AS (NO) 2013-09-17 US disclosed
US-20120039815-A9 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2012-02-16 US disclosed
US-20120039815-A9 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2012-02-16 US disclosed
US-20110052504-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2011-03-03 US disclosed
US-20110052504-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2011-03-03 US disclosed
WO-2009106552-A2 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-09-03 WO 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 (2 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-20120039815-A9 CONTRAST AGENTS C5, TXN, CBR3 CYP2C19 3568/4885HIF1A 337/4885LMNA 1863/4885
US-20110052504-A1 CONTRAST AGENTS C5, TXN, CBR3 CYP2C19 3568/4885HIF1A 337/4885LMNA 1863/4885

“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.