SCHEMBL10044857

SCHEMBL10044857

O=C(CO)Nc1c(I)c(C(=O)NCCC(CCNC(=O)c2c(I)c(NC(=O)CO)c(I)c(C(=O)N(CC(O)CO)CC(O)CO)c2I)CCNC(=O)c2c(I)c(NC(=O)CO)c(I)c(C(=O)N(CC(O)CO)CC(O)CO)c2I)c(I)c(C(=O)N(CC(O)CO)CC(O)CO)c1I

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
MAP2K2 P36507 1/20 0.32
MAP2K1 Q02750 1/20 0.32

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
SCHEMBL13247376 0.91 LMNA (0.53) LMNACYP2C19HIF1A
SCHEMBL10044867 0.89 LMNA (0.64) LMNACYP2C19HIF1AMAP2K2MAP2K1
SCHEMBL10455518 0.88 LMNA (0.61) LMNACYP2C19HIF1AMAP2K2MAP2K1
SCHEMBL3752378 0.87 LMNA (0.63) LMNACYP2C19HIF1AMAP2K2MAP2K1
SCHEMBL3663722 0.87 LMNA (0.63) LMNACYP2C19HIF1AMAP2K2MAP2K1
SCHEMBL9194179 0.86 LMNA (0.50) LMNACYP2C19HIF1A
SCHEMBL13247531 0.85 LMNA (0.61) LMNACYP2C19HIF1AMAP2K2MAP2K1
SCHEMBL3066368 0.85 LMNA (0.49) LMNACYP2C19HIF1A
SCHEMBL10044856 0.85 LMNA (0.51) LMNACYP2C19HIF1A
SCHEMBL10044858 0.84 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-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
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.