SCHEMBL711756

SCHEMBL711756

C=CCN(CC=C)C(=O)c1c(I)c(N)c(I)c(C(=O)Cl)c1I

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL1361288 0.92 ALDH1A1 (0.37) ALDH1A1
SCHEMBL710902 0.85
SCHEMBL10305680 0.82 ALDH1A1 (0.33) ALDH1A1
SCHEMBL1359901 0.76
SCHEMBL620188 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL9257399 0.74
SCHEMBL709348 0.73 HPGD (0.45) ALDH1A1
SCHEMBL3660895 0.73
SCHEMBL11195794 0.72 ALDH1A1 (0.32) ALDH1A1
SCHEMBL1359715 0.70 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 16 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-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
US-20090053142-A1 CONTRAST AGENTS WYNN DUNCAN 2009-02-26 US 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-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 ALDH1A1 3352/4885
US-20080260651-A1 CONTRAST AGENTS IPO4, TPO, IPO11 ALDH1A1 3375/4885
US-20100111875-A1 TRISUBSTITUTED TRIAZAMACROCYCLIC COMPOUNDS AND THEIR USE AS CONTRAST AGENTS TBCA, THOC2, TCOF1 ALDH1A1 3570/4885

“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.