SCHEMBL8587003

SCHEMBL8587003

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

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.65
HIF1A Q16665 1/20 0.65
LMNA P02545 3/20 0.62
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
MAP2K1 Q02750 6/20 0.32
MAP2K2 P36507 1/20 0.32
PRKCZ Q05513 1/20 0.32
IARS2 Q9NSE4 1/20 0.32
TYMP P19971 2/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 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
Ioforminol SCHEMBL374830 0.97 LMNA (0.65) CYP2C19HIF1ALMNAEGFRSRC
SCHEMBL2763827 0.96 LMNA (0.60) CYP2C19HIF1ALMNAEGFRSRC
SCHEMBL8583797 0.95 CYP2C19 (0.60) CYP2C19HIF1ALMNAEGFRSRC
SCHEMBL8588233 0.94 CYP2C19 (0.59) CYP2C19HIF1ALMNAEGFRSRC
SCHEMBL3783951 0.94 LMNA (0.60) CYP2C19HIF1ALMNAEGFRSRC
SCHEMBL14478600 0.93 LMNA (0.63) CYP2C19HIF1ALMNAEGFRSRC
SCHEMBL1742986 0.92 LMNA (0.59) CYP2C19HIF1ALMNAEGFRSRC
SCHEMBL1742983 0.91 LMNA (0.58) CYP2C19HIF1ALMNAEGFRSRC
SCHEMBL14329930 0.91 LMNA (0.61) CYP2C19HIF1ALMNAEGFRSRC
SCHEMBL1742158 0.91 LMNA (0.58) CYP2C19HIF1ALMNAEGFRSRC

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
EP-0855997-A4 FORMYL DERIVATIVES AS NONIONIC CONTRAST MEDIA BIOPHYSICA INC (US) 1998-10-07 EP claimed
EP-0855997-A1 FORMYL DERIVATIVES AS NONIONIC CONTRAST MEDIA BIOPHYSICA, INC. (US) 1998-08-05 EP claimed
WO-1997000240-A1 FORMYL DERIVATIVES AS NONIONIC CONTRAST MEDIA BIOPHYSICA FOUNDATION (US) 1997-01-03 WO claimed
US-20140322139-A1 STABILIZATION OF X-RAY DIAGNOSTIC COMPOSITION GE HEALTHCARE AS (NO) 2014-10-30 US disclosed
US-20140322139-A1 STABILIZATION OF X-RAY DIAGNOSTIC COMPOSITION GE HEALTHCARE AS (NO) 2014-10-30 US disclosed
WO-2013092783-A1 STABILIZATION OF X-RAY DIAGNOSTIC COMPOSITION GE HEALTHCARE AS (NO) 2013-06-27 WO disclosed
EP-0855997-A4 FORMYL DERIVATIVES AS NONIONIC CONTRAST MEDIA BIOPHYSICA INC (US) 1998-10-07 EP disclosed
EP-0855997-A1 FORMYL DERIVATIVES AS NONIONIC CONTRAST MEDIA BIOPHYSICA, INC. (US) 1998-08-05 EP disclosed
WO-1997000240-A1 FORMYL DERIVATIVES AS NONIONIC CONTRAST MEDIA BIOPHYSICA FOUNDATION (US) 1997-01-03 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-20140322139-A1 STABILIZATION OF X-RAY DIAGNOSTIC COMPOSITION SOST, SLCO1B1, IPO4 CYP2C19 1138/4885HIF1A 3682/4885LMNA 644/4885

“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.