SCHEMBL966699

SCHEMBL966699

CC(=O)N(CC(O)C(O)CN(C(C)=O)c1c(I)c(C(=O)NCCO)c(I)c(C(=O)NCC(O)CO)c1I)c1c(I)c(C(=O)NCCO)c(I)c(C(=O)NCC(O)CO)c1I

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.78
CYP2C19 P33261 1/20 0.78
HIF1A Q16665 1/20 0.78
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
MAP2K1 Q02750 3/20 0.30
MAP2K2 P36507 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
SCHEMBL620081 0.96 LMNA (0.75) LMNACYP2C19HIF1AEGFRSRC
Iohexol SCHEMBL4409596 0.94 CYP2C19 (0.88) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL966725 0.94 LMNA (0.88) LMNACYP2C19HIF1AEGFRSRC
Ioxilan SCHEMBL25634 0.94 CYP2C19 (0.88) LMNACYP2C19HIF1AEGFRSRC
Ioxilan SCHEMBL8844906 0.94 CYP2C19 (0.88) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9395156 0.94 LMNA (0.88) LMNACYP2C19HIF1AEGFRSRC
Ioxilan SCHEMBL8863793 0.92 CYP2C19 (0.84) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL3725817 0.90 LMNA (0.84) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL12917631 0.89 LMNA (0.63) LMNACYP2C19HIF1A
SCHEMBL11147513 0.89 CYP2C19 (0.79) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110008263-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2011-01-13 US claimed
US-20110008263-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2011-01-13 US disclosed
US-20110008263-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2011-01-13 US disclosed
EP-2245004-A2 CONTRAST AGENTS GE Healthcare AS (NO) 2010-11-03 EP disclosed
WO-2009106551-A2 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-09-03 WO disclosed
WO-2009106551-A2 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-09-03 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-20110008263-A1 CONTRAST AGENTS C5, C1R, C3AR1 LMNA 1002/4885CYP2C19 2085/4885HIF1A 1353/4885

“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.