SCHEMBL2569068

SCHEMBL2569068

CNCc1cccc(NC(N)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.51
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
ATR Q13535 1/20 0.45
GRB2 P62993 1/20 0.45
NOS2 P35228 2/20 0.45
NOS3 P29474 1/20 0.45
MAPT P10636 3/20 0.44
PARP1 P09874 1/20 0.44
AOC3 Q16853 1/20 0.44
BRD4 O60885 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43

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
SCHEMBL8947527 0.85 NPSR1 (0.56) MAPTPARP1AOC3ALDH1A1
SCHEMBL14365742 0.84 ROCK2 (0.54) ROCK2ROCK1GRB2MAPTPARP1
SCHEMBL26761200 0.84 GRB2 (0.54) NOS1ROCK2ROCK1GRB2NOS2
SCHEMBL4505211 0.83 GAA (0.55) NOS1NOS2NOS3MAPTGAA
SCHEMBL5031452 0.83 SIGMAR1 (0.60) MAPTALDH1A1GAAGRIN2DGRIN3B
SCHEMBL17518849 0.82 MAPK1 (0.49) MAPTALDH1A1
SCHEMBL14064863 0.82 CYP1A2 (0.56) ROCK2ROCK1GRB2MAPTAOC3
SCHEMBL27508531 0.81 TSHR (0.51) ROCK2ROCK1GRB2MAPT
Hydrochloric Acid SCHEMBL8884369 0.81 SIGMAR1 (0.61) MAPTALDH1A1GAAGRIN2DGRIN3B
SCHEMBL10647146 0.81 MAPT (0.47) NOS1ROCK2ROCK1NOS2NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013183-B1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2011-11-02 EP disclosed
CN-101432268-B 4- (2-amino-1-hydroxyethyl) phenol derivatives as beta 2 adrenoreceptor agonists ALMIRALL LAB 2011-02-16 CN disclosed
CN-101432268-A 4- (2-amino-1-hydroxyethyl) phenol derivatives as beta 2 adrenoreceptor agonists ALMIRALL LAB (ES) 2009-05-13 CN disclosed
US-20090082378-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. (ES) 2009-03-26 US disclosed
EP-2013183-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR Laboratorios Almirall, S.A. (ES) 2009-01-14 EP disclosed
WO-2007124898-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE β2 ADRENERGIC RECEPTOR LABORATORIOS, ALMIRALL S.A. (ES) 2007-11-08 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-20090082378-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR ADRB2, ADRA2C, ADRB1 NOS1 1406/4885ROCK2 1239/4885ROCK1 1909/4885

“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.