SCHEMBL5452136

SCHEMBL5452136

O=C(Nc1ccccc1)Nc1ccccc1I

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.65
TP53 P04637 1/20 0.65
EPHX1 P07099 1/20 0.65
TSHR P16473 1/20 0.65
EPHX2 P34913 1/20 0.65
CDK9 P50750 1/20 0.65
CLK4 Q9HAZ1 1/20 0.65
KMT2A Q03164 7/20 0.62
MEN1 O00255 6/20 0.62
NPC1 O15118 4/20 0.62
RAB9A P51151 4/20 0.62
LMNA P02545 2/20 0.62
HTT P42858 2/20 0.62
KDM4E B2RXH2 3/20 0.59
MAPT P10636 3/20 0.59
GAA P10253 2/20 0.57
CASP3 P42574 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
GRIK1 P39086 1/20 0.56
TDP1 Q9NUW8 2/20 0.56

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
SCHEMBL21810514 0.86 SMN1; SMN2 (0.81) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL26417471 0.84 MAPT (0.69) SMN1; SMN2TP53EPHX1TSHREPHX2
Diphenylurea SCHEMBL133103 0.81 SMN1; SMN2 (1.00) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL3406989 0.81 CA2 (0.70) KMT2AMEN1POLB
SCHEMBL30557281 0.80 SMN1; SMN2 (0.71) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL2092377 0.79 GRIK1 (0.50) SMN1; SMN2TP53KMT2AMEN1NPC1
SCHEMBL19491365 0.79 SIRT1 (0.76) SMN1; SMN2TP53EPHX1TSHREPHX2
Diphenylurea SCHEMBL30786615 0.79 SMN1; SMN2 (0.94) SMN1; SMN2TP53EPHX1TSHREPHX2
Diphenylurea SCHEMBL3037927 0.79 SMN1; SMN2 (0.94) SMN1; SMN2TP53EPHX1TSHREPHX2
Diphenylurea SCHEMBL28431956 0.79 SMN1; SMN2 (0.94) SMN1; SMN2TP53EPHX1TSHREPHX2

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 SMN1; SMN2 2977/4885TP53 4698/4885EPHX1 64/4885
US-20070249630-A1 Phenethanolamine derivatives for treatment of respiratory diseases PHOSPHO1, PNMT, PEBP1 SMN1; SMN2 2977/4885TP53 4698/4885EPHX1 64/4885

“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.