SCHEMBL3725817

SCHEMBL3725817

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

nearest known ligand 0.84

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.84
CYP2C19 P33261 1/20 0.84
HIF1A Q16665 1/20 0.84
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
MAP2K1 Q02750 6/20 0.31
MAP2K2 P36507 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PRKCZ Q05513 1/20 0.31
IARS2 Q9NSE4 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
SCHEMBL9395156 0.95 LMNA (0.88) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL620081 0.94 LMNA (0.75) LMNACYP2C19HIF1AEGFRSRC
Iodixanol SCHEMBL8845042 0.91 LMNA (1.00) LMNACYP2C19HIF1AEGFRSRC
Iohexol SCHEMBL8844889 0.91 CYP2C19 (1.00) LMNACYP2C19HIF1AEGFRSRC
Iohexol SCHEMBL37920 0.91 CYP2C19 (1.00) LMNACYP2C19HIF1AEGFRSRC
Iohexol SCHEMBL26501 0.91 CYP2C19 (1.00) LMNACYP2C19HIF1AEGFRSRC
Iodixanol SCHEMBL21546 0.91 LMNA (1.00) LMNACYP2C19HIF1AEGFRSRC
Iodixanol SCHEMBL37712 0.91 LMNA (1.00) LMNACYP2C19HIF1AEGFRSRC
Iohexol SCHEMBL31722694 0.91 CYP2C19 (1.00) LMNACYP2C19HIF1AEGFRSRC
Iohexol SCHEMBL8711982 0.90 CYP2C19 (0.97) LMNACYP2C19HIF1AEGFRSRC

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 7 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-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
EP-2245003-A2 CONTRAST AGENTS GE Healthcare AS (NO) 2010-11-03 EP disclosed
WO-2009106552-A2 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-09-03 WO 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 LMNA 1863/4885CYP2C19 3568/4885HIF1A 337/4885
US-20110052504-A1 CONTRAST AGENTS C5, TXN, CBR3 LMNA 1863/4885CYP2C19 3568/4885HIF1A 337/4885

“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.