SCHEMBL5455627

SCHEMBL5455627

O=C(NC(=O)c1ccccc1)Nc1cccc(I)c1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.70
RAB9A P51151 8/20 0.70
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
SIRT1 Q96EB6 2/20 0.59
KCNK3 O14649 1/20 0.57
KCNK9 Q9NPC2 1/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPT P10636 1/20 0.57
SMO Q99835 1/20 0.55
NPSR1 Q6W5P4 1/20 0.52
HPGD P15428 2/20 0.51
ALOX12 P18054 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HPSE Q9Y251 1/20 0.50
GRIK1 P39086 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
SCHEMBL6530432 0.87 KCNK3 (0.76) NPC1RAB9AMEN1KMT2ASIRT1
SCHEMBL30799014 0.87 KCNK3 (0.76) NPC1RAB9AMEN1KMT2ASIRT1
SCHEMBL1335468 0.85 SIRT1 (0.81) NPC1RAB9AMEN1KMT2ASIRT1
SCHEMBL19880777 0.83 TP53 (0.65) NPC1RAB9AMEN1KMT2ASIRT1
SCHEMBL4684343 0.83 RAB9A (1.00) NPC1RAB9AMEN1KMT2ASIRT1
SCHEMBL7386516 0.83 NPC1 (0.72) NPC1RAB9AMEN1KMT2ASIRT1
SCHEMBL7457738 0.83 NPC1 (0.72) NPC1RAB9AMEN1KMT2ASIRT1
SCHEMBL29466759 0.81 GRIK1 (0.60) NPC1RAB9AMEN1KMT2ASIRT1
SCHEMBL12259160 0.79 SIRT1 (0.69) NPC1RAB9AMEN1KMT2ASIRT1
SCHEMBL10495538 0.79 RAB9A (0.66) NPC1RAB9AMEN1KMT2ASIRT1

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 NPC1 1351/4885RAB9A 1424/4885MEN1 1655/4885
US-20070249630-A1 Phenethanolamine derivatives for treatment of respiratory diseases PHOSPHO1, PNMT, PEBP1 NPC1 1351/4885RAB9A 1424/4885MEN1 1655/4885

“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.