SCHEMBL4532928

SCHEMBL4532928

O=C(O)N(CCCOCCO)CCc1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.43
LPAR1 Q92633 1/20 0.42
LPAR5 Q9H1C0 1/20 0.42
PLAAT3 P53816 1/20 0.42
PLAAT5 Q96KN8 1/20 0.42
PLAAT2 Q9NWW9 1/20 0.42
PLAAT4 Q9UL19 1/20 0.42
AOC3 Q16853 1/20 0.42
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
TMEM97 Q5BJF2 1/20 0.38

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
SCHEMBL13712787 0.84 TAAR1 (0.41) TAAR1AOC3KDM4E
SCHEMBL13711761 0.81 TAAR1 (0.54) TAAR1AOC3KDM4ETMEM97SIGMAR1
SCHEMBL4512792 0.81 TAAR1 (0.43) TAAR1LPAR1LPAR5PLAAT3PLAAT5
SCHEMBL4519449 0.78 TAAR1 (0.43) TAAR1LPAR1LPAR5PLAAT3PLAAT5
SCHEMBL3173873 0.77 TAAR1 (0.52) TAAR1AOC3SMN1; SMN2ALDH1A1KMT2A
SCHEMBL4531579 0.74 L3MBTL1 (0.41) TAAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4529767 0.74 TAAR1 (0.42) TAAR1LPAR1LPAR5PLAAT3PLAAT5
SCHEMBL4529675 0.73 TAAR1 (0.49) TAAR1LPAR1LPAR5PLAAT3PLAAT5
SCHEMBL23120146 0.71 FDFT1 (0.52) LPAR1LPAR5
SCHEMBL15265389 0.71 AOC3 (0.48) TAAR1LPAR1LPAR5PLAAT3PLAAT5

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 TAAR1 70/4885LPAR1 643/4885LPAR5 534/4885

“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.