SCHEMBL709354

SCHEMBL709354

C=CCNC(=O)c1c(I)c(NC(=O)COC(C)=O)c(I)c(C(=O)Cl)c1I

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
ALDH1A1 P00352 5/20 0.36
HPGD P15428 4/20 0.36
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
TP53 P04637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL13267665 0.90 LMNA (0.39) LMNAALDH1A1HPGDKDM4ETDP1
SCHEMBL10044834 0.87 LMNA (0.38) LMNAALDH1A1HPGDKDM4ETDP1
SCHEMBL708587 0.85 ALDH1A1 (0.42) LMNAALDH1A1HPGDKDM4EUSP2
SCHEMBL9188694 0.84 LMNA (0.40) LMNAALDH1A1HPGDKDM4EUSP2
SCHEMBL9196383 0.83 LMNA (0.38) LMNAALDH1A1HPGDUSP2SMN1; SMN2
SCHEMBL14435475 0.83 ALDH1A1 (0.36) LMNAALDH1A1HPGDKDM4ETDP1
SCHEMBL709956 0.81 LMNA (0.33) LMNAALDH1A1HPGD
SCHEMBL9352729 0.81 LMNA (0.59) LMNAALDH1A1HPGDUSP2SMN1; SMN2
SCHEMBL9451103 0.81 LMNA (0.59) LMNAALDH1A1HPGDUSP2SMN1; SMN2
SCHEMBL710486 0.81 LMNA (0.36) LMNAALDH1A1HPGDUSP2SMN1; 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 14 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-8124806-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-02-28 US disclosed
EP-1989179-B1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2011-01-26 EP disclosed
EP-1989179-B1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2011-01-26 EP disclosed
US-20100183522-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-07-22 US disclosed
US-20100111875-A1 TRISUBSTITUTED TRIAZAMACROCYCLIC COMPOUNDS AND THEIR USE AS CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-05-06 US disclosed
US-20100111875-A1 TRISUBSTITUTED TRIAZAMACROCYCLIC COMPOUNDS AND THEIR USE AS CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-05-06 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
WO-2009005365-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-01-08 WO disclosed
US-20080260651-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2008-10-23 US disclosed
US-20080260651-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2008-10-23 US disclosed
WO-2008123779-A1 TRISUBSTITUTED TRIAZAMACROCYCLI C COMPOUNDS AND THEIR USE AS CONTRAST AGENTS GE HEALTHCARE AS (NO) 2008-10-16 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 (4 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 2151/4885ALDH1A1 3352/4885HPGD 3025/4885
US-20080260651-A1 CONTRAST AGENTS IPO4, TPO, IPO11 LMNA 2138/4885ALDH1A1 3375/4885HPGD 1100/4885
US-20100183522-A1 CONTRAST AGENTS IPO4, IPO11, IPO8 LMNA 2689/4885ALDH1A1 3910/4885HPGD 3657/4885
US-20100111875-A1 TRISUBSTITUTED TRIAZAMACROCYCLIC COMPOUNDS AND THEIR USE AS CONTRAST AGENTS TBCA, THOC2, TCOF1 LMNA 1434/4885ALDH1A1 3570/4885HPGD 1841/4885

“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.