SCHEMBL3051973

SCHEMBL3051973

O=C(NCCCNC(=O)c1c(I)c(NC(=O)C(O)CO)c(I)c(C(=O)NCC(O)CO)c1I)c1c(I)c(NC(=O)C(O)CO)c(I)c(C(=O)NCC(O)CO)c1I

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
MAP2K1 Q02750 6/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAP2K2 P36507 1/20 0.31
PRKCZ Q05513 1/20 0.31
IARS2 Q9NSE4 1/20 0.31

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
SCHEMBL3067900 0.96 LMNA (0.47) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9563831 0.94 LMNA (0.53) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL13220209 0.92 LMNA (0.52) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL13247495 0.90 LMNA (0.50) LMNACYP2C19HIF1AMAP2K1MAP2K2
SCHEMBL13247511 0.88 LMNA (0.48) LMNACYP2C19HIF1A
SCHEMBL3051977 0.88 LMNA (0.46) LMNACYP2C19HIF1A
SCHEMBL13180592 0.88 LMNA (0.48) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL3931532 0.88 LMNA (0.51) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL13247483 0.87 LMNA (0.52) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL8517379 0.87 LMNA (0.47) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100221189-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-09-02 US claimed
EP-2200656-A1 CONTRAST AGENTS GE Healthcare AS (NO) 2010-06-30 EP claimed
WO-2009047319-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-04-16 WO claimed
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-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
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.