SCHEMBL5455619

SCHEMBL5455619

O=C(Nc1cccc(O)c1)Nc1cccc(I)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ1A Q9NRL2 1/20 0.58
ALDH1A1 P00352 2/20 0.58
CYP1A2 P05177 1/20 0.58
KMT2A Q03164 4/20 0.54
MEN1 O00255 2/20 0.54
TRPV1 Q8NER1 1/20 0.54
GRIK1 P39086 2/20 0.54
CNR1 P21554 1/20 0.53
DDX3X O00571 1/20 0.50
DYRK1A Q13627 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
EPHX2 P34913 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
MGLL Q99685 1/20 0.49

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
SCHEMBL29466759 0.91 GRIK1 (0.60) ALDH1A1KMT2AMEN1GRIK1DDX3X
SCHEMBL9400341 0.89 ALDH1A1 (0.70) BAZ1AALDH1A1CYP1A2KMT2AMEN1
SCHEMBL19880777 0.85 TP53 (0.65) ALDH1A1KMT2AMEN1GRIK1CNR1
SCHEMBL7098404 0.83 TP53 (0.68) BAZ1AALDH1A1CYP1A2KMT2AMEN1
SCHEMBL3100071 0.80 GRIK1 (0.51) ALDH1A1KMT2AMEN1GRIK1DDX3X
SCHEMBL30589624 0.79 MEN1 (0.82) ALDH1A1KMT2AMEN1TRPV1GRIK1
SCHEMBL28914350 0.79 MEN1 (0.82) ALDH1A1KMT2AMEN1TRPV1GRIK1
SCHEMBL7097165 0.78 ALDH1A1 (0.67) BAZ1AALDH1A1CYP1A2KMT2AMEN1
SCHEMBL22025929 0.78 ALDH1A1 (0.61) BAZ1AALDH1A1CYP1A2KMT2AMEN1
SCHEMBL31078919 0.77 BAZ1A (0.69) BAZ1AALDH1A1CYP1A2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249630-A1 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2007-10-25 US disclosed
US-20050209338-A1 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2005-09-22 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 (2 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-20050209338-A1 Phenethanolamine derivatives for treatment of respiratory diseases PHOSPHO1, PNMT, PEBP1 BAZ1A 1167/4885ALDH1A1 2157/4885CYP1A2 226/4885
US-20070249630-A1 Phenethanolamine derivatives for treatment of respiratory diseases PHOSPHO1, PNMT, PEBP1 BAZ1A 1167/4885ALDH1A1 2157/4885CYP1A2 226/4885

“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.