SCHEMBL4158580

SCHEMBL4158580

C=CCNC(=O)c1c(I)c(NC(=O)C2CC(C(=O)Nc3c(I)c(C(=O)NCC=C)c(I)c(C(=O)NCC=C)c3I)CC(C(=O)Nc3c(I)c(C(=O)NCC=C)c(I)c(C(=O)NCC=C)c3I)C2)c(I)c(C(=O)NCC=C)c1I

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
HPGD P15428 3/20 0.42
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 4/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL9563923 0.80 ALDH1A1 (0.43) ALDH1A1HPGDCYP1A2MAPTRAB9A
SCHEMBL9564013 0.77 LMNA (0.50) ALDH1A1HPGDCYP1A2MAPTRAB9A
SCHEMBL9564059 0.76 HPGD (0.45) ALDH1A1HPGDCYP1A2MAPTRAB9A
SCHEMBL13873464 0.76 LMNA (0.50) SMN1; SMN2LMNA
SCHEMBL12139570 0.74 ALDH1A1 (0.38) ALDH1A1HPGDCYP1A2MAPTRAB9A
SCHEMBL1360134 0.72 HPGD (0.47) ALDH1A1HPGDCYP1A2MAPTRAB9A
SCHEMBL709354 0.70 LMNA (0.39) ALDH1A1HPGDMAPTRAB9ASMN1; SMN2
SCHEMBL709348 0.70 HPGD (0.45) ALDH1A1HPGDCYP1A2MAPTRAB9A
SCHEMBL6013194 0.69 HPGD (0.44) ALDH1A1HPGDCYP1A2MAPTRAB9A
SCHEMBL13267665 0.69 LMNA (0.39) ALDH1A1HPGDMAPTRAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090098059-A1 CONTRAST AGENTS WYNN DUNCAN 2009-04-16 US disclosed
EP-2021317-A1 CONTRAST AGENTS GE Healthcare AS (NO) 2009-02-11 EP disclosed
WO-2007133090-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2007-11-22 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-20090098059-A1 CONTRAST AGENTS IPO4, IPO11, IPO8 ALDH1A1 4130/4885HPGD 2630/4885KMT2A 4163/4885

“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.