SCHEMBL10044836

SCHEMBL10044836

CC(=O)OCC(=O)Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(C)(CNC(=O)c2c(I)c(NC(=O)COC(C)=O)c(I)c(C(=O)NCC(O)CO)c2I)CNC(=O)c2c(I)c(NC(=O)COC(C)=O)c(I)c(C(=O)NCC(O)CO)c2I)c1I

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
MAP2K1 Q02750 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
EGFR P00533 1/20 0.31
SRC P12931 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAP2K2 P36507 1/20 0.30
PRKCZ Q05513 1/20 0.30
IARS2 Q9NSE4 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
SCHEMBL11286320 0.92 LMNA (0.65) LMNACYP2C19HIF1AMAP2K1SMN1; SMN2
SCHEMBL10044854 0.91 LMNA (0.56) LMNACYP2C19HIF1AMAP2K1SMN1; SMN2
SCHEMBL9389982 0.89 LMNA (0.61) LMNACYP2C19HIF1AMAP2K1SMN1; SMN2
SCHEMBL9316969 0.88 LMNA (0.60) LMNACYP2C19HIF1AMAP2K1SMN1; SMN2
SCHEMBL8906487 0.88 LMNA (0.60) LMNACYP2C19HIF1AMAP2K1SMN1; SMN2
SCHEMBL10044835 0.88 LMNA (0.54) LMNACYP2C19HIF1AMAP2K1SMN1; SMN2
SCHEMBL10044853 0.87 LMNA (0.69) LMNACYP2C19HIF1A
SCHEMBL9451103 0.87 LMNA (0.59) LMNACYP2C19HIF1AMAP2K1SMN1; SMN2
SCHEMBL9352729 0.87 LMNA (0.59) LMNACYP2C19HIF1AMAP2K1SMN1; SMN2
SCHEMBL22662268 0.85 LMNA (0.57) LMNACYP2C19HIF1AMAP2K1SMN1; SMN2

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.