SCHEMBL13246453

SCHEMBL13246453

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

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.30
TYMP P19971 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
SCHEMBL13885446 0.96 LMNA (0.65) LMNACYP2C19HIF1ASMN1; SMN2TYMP
SCHEMBL13247491 0.93 LMNA (0.61) LMNACYP2C19HIF1ASMN1; SMN2TYMP
SCHEMBL13246462 0.93 LMNA (0.74) LMNACYP2C19HIF1A
SCHEMBL9976300 0.92 LMNA (0.60) LMNACYP2C19HIF1ASMN1; SMN2TYMP
SCHEMBL13246454 0.90 LMNA (0.64) LMNACYP2C19HIF1A
SCHEMBL13247584 0.90 LMNA (0.58) LMNACYP2C19HIF1A
SCHEMBL10044866 0.90 LMNA (0.58) LMNACYP2C19HIF1A
SCHEMBL13138908 0.89 LMNA (0.62) LMNACYP2C19HIF1ASMN1; SMN2TYMP
SCHEMBL13247527 0.89 LMNA (0.57) LMNACYP2C19HIF1A
SCHEMBL13885042 0.89 LMNA (0.66) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100183522-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-07-22 US disclosed
US-20100183522-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-07-22 US disclosed
WO-2009005365-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-01-08 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 (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-20100183522-A1 CONTRAST AGENTS IPO4, IPO11, IPO8 LMNA 2689/4885CYP2C19 4067/4885HIF1A 1349/4885

“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.