SCHEMBL622232

SCHEMBL622232

O=C(c1c(I)cc(I)c(C(=O)N(CCO)CCO)c1I)N(CCO)CCO

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.35
NTRK2 Q16620 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
ALPL P05186 2/20 0.33
POLB P06746 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
TPMT P51580 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
SCHEMBL9000085 0.91 CA2 (0.34) CA2
Iosimide SCHEMBL898150 0.85 CA2 (0.33) CA2NTRK2ALPLPOLB
Iosimide SCHEMBL8845588 0.85 CA2 (0.33) CA2NTRK2ALPLPOLB
SCHEMBL3259093 0.78 LMNA (0.30)
SCHEMBL4345180 0.78
SCHEMBL10305674 0.77 CYP2C19 (0.39)
SCHEMBL3786697 0.76
SCHEMBL11372360 0.76 CA2 (0.32) CA2
SCHEMBL28363240 0.73
SCHEMBL9787642 0.72

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120039815-A9 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2012-02-16 US claimed
US-20110052504-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2011-03-03 US claimed
US-20110008263-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2011-01-13 US claimed
EP-2245003-A2 CONTRAST AGENTS GE Healthcare AS (NO) 2010-11-03 EP claimed
EP-2245004-A2 CONTRAST AGENTS GE Healthcare AS (NO) 2010-11-03 EP claimed
WO-2009106551-A2 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-09-03 WO claimed
WO-2009106552-A2 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-09-03 WO claimed
US-8535642-B2 Contrast agents GE HEALTHCARE AS (NO) 2013-09-17 US disclosed
US-20120039815-A9 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2012-02-16 US disclosed
US-20110052504-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2011-03-03 US disclosed
US-20110008263-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2011-01-13 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 (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-20120039815-A9 CONTRAST AGENTS C5, TXN, CBR3 CA2 126/4885NTRK2 3226/4885TSHR 72/4885
US-20110052504-A1 CONTRAST AGENTS C5, TXN, CBR3 CA2 126/4885NTRK2 3226/4885TSHR 72/4885
US-20110008263-A1 CONTRAST AGENTS C5, C1R, C3AR1 CA2 438/4885NTRK2 2895/4885TSHR 35/4885

“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.