SCHEMBL1205935

SCHEMBL1205935

C[C@H](Cc1ccc(NC(=O)NCc2ccccc2)cc1)N[C@H](CO)c1ccc2c(c1)COC(C)(C)O2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GSK3B P49841 1/20 0.41
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
POLB P06746 2/20 0.40
PTPN1 P18031 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX1 P07099 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ROCK2 O75116 1/20 0.36

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
SCHEMBL1205939 0.85 ADRB2 (0.46) MEN1KMT2AGSK3BNPC1RAB9A
SCHEMBL4223907 0.84 ROCK2 (0.37) KMT2ANPC1RAB9ASMN1; SMN2ITGB3
SCHEMBL1206028 0.79 ADRB2 (0.47) GSK3BSMN1; SMN2ITGB3ITGAV
SCHEMBL1206030 0.79 ADRB2 (0.47) GSK3BSMN1; SMN2ITGB3ITGAV
SCHEMBL1204325 0.70 ADRB2 (0.52) MEN1KMT2AMAPTSMN1; SMN2ROCK2
SCHEMBL1204324 0.70 ADRB2 (0.52) MEN1KMT2AMAPTSMN1; SMN2ROCK2
SCHEMBL1205434 0.69 ADRB2 (0.46) SMN1; SMN2
SCHEMBL1205430 0.69 ADRB2 (0.46) SMN1; SMN2
SCHEMBL5391885 0.68 ADRB3 (0.45)
SCHEMBL4801268 0.68 ADRB3 (0.47) MEN1KMT2APOLB

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-20110028442-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL) PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ALMIRALL, S.A. (ES) 2011-02-03 US disclosed
EP-2096105-A1 Derivatives of 4-(2-amino-1-hydroxyethyl)phenol as agonists of the b2 adrenergic receptor Laboratorios Almirall, S.A. (ES) 2009-09-02 EP 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-20110028442-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL) PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRB1, ADRA2C MEN1 4792/4885KMT2A 2189/4885GSK3B 1235/4885

“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.