SCHEMBL3047183

SCHEMBL3047183

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.35
EGFR P00533 1/20 0.32
SRC P12931 1/20 0.32
HTT P42858 1/20 0.31
MAP2K1 Q02750 4/20 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
SCHEMBL9976319 0.94 LMNA (0.43) LMNACYP2C19HIF1ASMN1; SMN2
SCHEMBL13220206 0.93 LMNA (0.50) LMNACYP2C19HIF1ASMN1; SMN2EGFR
SCHEMBL10044863 0.91 LMNA (0.45) LMNACYP2C19HIF1ASMN1; SMN2EGFR
SCHEMBL13247497 0.90 LMNA (0.48) LMNACYP2C19HIF1ASMN1; SMN2
SCHEMBL13247513 0.89 LMNA (0.47) LMNACYP2C19HIF1ASMN1; SMN2
SCHEMBL3047186 0.88 LMNA (0.45) LMNACYP2C19HIF1A
SCHEMBL13247485 0.88 LMNA (0.50) LMNACYP2C19HIF1ASMN1; SMN2MAP2K1
SCHEMBL13247598 0.87 LMNA (0.48) LMNACYP2C19HIF1A
SCHEMBL3067900 0.87 LMNA (0.47) LMNACYP2C19HIF1ASMN1; SMN2EGFR
SCHEMBL7593885 0.86 LMNA (0.44) LMNACYP2C19HIF1ASMN1; SMN2EGFR

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-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

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.