SCHEMBL4512792

SCHEMBL4512792

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.43
PLAAT3 P53816 2/20 0.42
PLAAT5 Q96KN8 2/20 0.42
PLAAT2 Q9NWW9 2/20 0.42
PLAAT4 Q9UL19 2/20 0.42
AOC3 Q16853 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 5/20 0.40
HPGD P15428 2/20 0.40
LPAR1 Q92633 1/20 0.40
LPAR5 Q9H1C0 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39

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
SCHEMBL4519449 0.90 TAAR1 (0.43) TAAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4529767 0.86 TAAR1 (0.42) TAAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4726672 0.86 TDP1 (0.46) SMN1; SMN2LPAR1KMT2AMEN1LMNA
SCHEMBL4522949 0.82 KMT2A (0.48) TAAR1KMT2AMEN1LMNATP53
SCHEMBL4532928 0.81 TAAR1 (0.43) TAAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4534868 0.80 TAAR1 (0.43) TAAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4528744 0.78 HPGD (0.45) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL4524801 0.78 PTPRC (0.38) TAAR1SMN1; SMN2TMEM97SIGMAR1
SCHEMBL1181113 0.78 TAAR1 (0.41) TAAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL8989751 0.75 TDP1 (0.43) ALDH1A1HPGDKMT2ALMNA

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 70/4885PLAAT3 3289/4885PLAAT5 2360/4885

“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.