SCHEMBL9976292

SCHEMBL9976292

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

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
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
SCHEMBL13247506 0.97 LMNA (0.51) LMNACYP2C19HIF1A
SCHEMBL13885050 0.95 LMNA (0.58) LMNACYP2C19HIF1ASMN1; SMN2TYMP
SCHEMBL13882438 0.95 LMNA (0.49) LMNACYP2C19HIF1A
SCHEMBL13247525 0.95 LMNA (0.52) LMNACYP2C19HIF1A
SCHEMBL13247608 0.94 LMNA (0.48) LMNACYP2C19HIF1A
SCHEMBL13247493 0.92 LMNA (0.55) LMNACYP2C19HIF1A
SCHEMBL13138909 0.91 LMNA (0.55) LMNACYP2C19HIF1ASMN1; SMN2TYMP
SCHEMBL3060064 0.90 LMNA (0.45) LMNACYP2C19HIF1A
SCHEMBL13959470 0.90 LMNA (0.48) LMNACYP2C19HIF1A
SCHEMBL13247591 0.89 LMNA (0.52) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202511-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-06-19 US disclosed
US-8202511-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-06-19 US disclosed
US-20100221189-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-09-02 US disclosed
US-20100221189-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-09-02 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-20100221189-A1 CONTRAST AGENTS NR1I3, NR1I2, NR1D2 LMNA 2753/4885CYP2C19 754/4885HIF1A 612/4885

“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.