SCHEMBL709348

SCHEMBL709348

C=CCNC(=O)c1c(I)c(N)c(I)c(C(=O)Cl)c1I

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.45
ALDH1A1 P00352 3/20 0.45
RAB9A P51151 2/20 0.40
CYP1A2 P05177 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 3/20 0.35
ALOX15 P16050 1/20 0.35
MAPT P10636 2/20 0.34
PKM P14618 1/20 0.34
TP53 P04637 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL1360134 0.92 HPGD (0.47) HPGDALDH1A1RAB9ACYP1A2SMN1; SMN2
SCHEMBL6013194 0.88 HPGD (0.44) HPGDALDH1A1RAB9ACYP1A2SMN1; SMN2
SCHEMBL9259815 0.86 HPGD (0.43) HPGDALDH1A1RAB9ACYP1A2SMN1; SMN2
SCHEMBL9614726 0.82 HPGD (0.40) HPGDALDH1A1RAB9ACYP1A2SMN1; SMN2
SCHEMBL620188 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL5306922 0.74 KDM4E (0.32) HPGDALDH1A1ALOX15MAPTTSHR
SCHEMBL709354 0.73 LMNA (0.39) HPGDALDH1A1RAB9ASMN1; SMN2LMNA
Malonic Acid SCHEMBL11132579 0.73 LDHA (0.36)
SCHEMBL9564059 0.73 HPGD (0.45) HPGDALDH1A1RAB9ACYP1A2SMN1; SMN2
SCHEMBL711756 0.73 ALDH1A1 (0.33) ALDH1A1

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
EP-1989179-B1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2011-01-26 EP 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-20100111875-A1 TRISUBSTITUTED TRIAZAMACROCYCLIC COMPOUNDS AND THEIR USE AS CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-05-06 US disclosed
EP-2129664-A1 TRISUBSTITUTED TRIAZAMACROCYCLI C COMPOUNDS AND THEIR USE AS CONTRAST AGENTS GE Healthcare AS (NO) 2009-12-09 EP disclosed
US-20090053142-A1 CONTRAST AGENTS WYNN DUNCAN 2009-02-26 US disclosed
EP-1989179-A1 CONTRAST AGENTS GE Healthcare AS (NO) 2008-11-12 EP 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
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
WO-2008123779-A1 TRISUBSTITUTED TRIAZAMACROCYCLI C COMPOUNDS AND THEIR USE AS CONTRAST AGENTS GE HEALTHCARE AS (NO) 2008-10-16 WO disclosed
WO-2007094683-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2007-08-23 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 (3 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 HPGD 3025/4885ALDH1A1 3352/4885RAB9A 1905/4885
US-20080260651-A1 CONTRAST AGENTS IPO4, TPO, IPO11 HPGD 1100/4885ALDH1A1 3375/4885RAB9A 1046/4885
US-20100111875-A1 TRISUBSTITUTED TRIAZAMACROCYCLIC COMPOUNDS AND THEIR USE AS CONTRAST AGENTS TBCA, THOC2, TCOF1 HPGD 1841/4885ALDH1A1 3570/4885RAB9A 2535/4885

“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.