SCHEMBL4514920

SCHEMBL4514920

OCCSCCCOCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
ADRB2 P07550 3/20 0.41
ADRB1 P08588 3/20 0.41
DRD2 P14416 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
CES1 P23141 1/20 0.38
LTA4H P09960 1/20 0.38
EPHX2 P34913 1/20 0.38
CA2 P00918 1/20 0.38
IDO1 P14902 1/20 0.38
LMNA P02545 1/20 0.37
NOS1 P29475 1/20 0.37
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL4518227 0.93 TDP1 (0.44) TDP1CYP1A2CYP2D6CYP2C19ADRB2
SCHEMBL4517490 0.87 TDP1 (0.44) TDP1CYP1A2CYP2D6CYP2C19ADRB2
SCHEMBL4588685 0.83 HRH3 (0.42) CYP1A2CYP2D6CYP2C19ADRB2ADRB1
SCHEMBL6268788 0.82 TDP1 (0.54) TDP1MEN1KMT2AHRH3LTA4H
SCHEMBL8527471 0.81 MMP12 (0.58) CES1LMNASMN1; SMN2
SCHEMBL8673473 0.80 TDP1 (0.52) TDP1MEN1KMT2AHRH3LTA4H
SCHEMBL9180229 0.80 CYP1A2 (0.61) TDP1CYP1A2CYP2D6CYP2C19CES1
SCHEMBL4519706 0.80 ADRB2 (0.44) TDP1CYP1A2CYP2D6CYP2C19ADRB2
SCHEMBL1007811 0.79 TDP1 (0.50) TDP1CYP1A2CYP2D6ADRB2ADRB1
SCHEMBL1180141 0.78 TDP1 (0.58) TDP1MEN1KMT2ALTA4HEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221653-A1 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3H)-one-derivatives as beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2009-09-03 US disclosed
EP-1937656-A1 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS BETA 2 ADRENOCEPTOR AGONISTS AstraZeneca AB (SE) 2008-07-02 EP disclosed
WO-2007027134-A1 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS β2 ADRENOCEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-03-08 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-20090221653-A1 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3H)-one-derivatives as beta2 adrenoreceptor agonists ADRB2, ADRB1, ADRA2C TDP1 4235/4885CYP1A2 129/4885CYP2D6 496/4885

“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.