SCHEMBL2213494

SCHEMBL2213494

O=C(CCNCCc1ccc(O)c(Cl)c1)N(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 11/20 0.61
ADRB2 P07550 9/20 0.52

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
SCHEMBL2209815 0.95 SMYD2 (0.65) SMYD2ADRB2
Trifluoroacetic Acid SCHEMBL2211851 0.95 SMYD2 (0.56) SMYD2ADRB2
SCHEMBL13533739 0.93 SMYD2 (0.55) SMYD2ADRB2
SCHEMBL12511330 0.92 ADRB2 (0.56) SMYD2ADRB2
SCHEMBL2212519 0.92 ADRB2 (0.56) SMYD2ADRB2
SCHEMBL12511066 0.91 ADRB2 (0.57) SMYD2ADRB2
SCHEMBL2213495 0.91 SMYD2 (0.55) SMYD2ADRB2
SCHEMBL12511325 0.91 ADRB2 (0.62) SMYD2ADRB2
SCHEMBL2213235 0.91 ADRB2 (0.62) SMYD2ADRB2
SCHEMBL2211906 0.90 SMYD2 (0.56) SMYD2ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121642-B1 4-HYDR0XY-2-0X0-2, 3 -DIHYDRO- 1, 3-BENZOTHIAZOL- 7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2011-07-27 EP disclosed
EP-2121642-B1 4-HYDR0XY-2-0X0-2, 3 -DIHYDRO- 1, 3-BENZOTHIAZOL- 7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2011-07-27 EP disclosed
US-20100249200-A1 Novel Compounds 569 ASTRAZENECA AB (SE) 2010-09-30 US disclosed
US-20100249200-A1 Novel Compounds 569 ASTRAZENECA AB (SE) 2010-09-30 US disclosed
US-20100249200-A1 Novel Compounds 569 ASTRAZENECA AB (SE) 2010-09-30 US disclosed
US-7700782-B2 Compounds 569 ASTRAZENECA AB (SE) 2010-04-20 US disclosed
US-20100022491-A1 4-HYDROXY-2-OXO-2,3-DIHYDRO-1,3-BENZOTHIAZOL-7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2010-01-28 US disclosed
US-20100022491-A1 4-HYDROXY-2-OXO-2,3-DIHYDRO-1,3-BENZOTHIAZOL-7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2010-01-28 US disclosed
EP-2121642-A1 4-HYDR0XY-2-0X0-2, 3 -DIHYDRO- 1, 3-BENZOTHIAZOL- 7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY AstraZeneca AB (SE) 2009-11-25 EP disclosed
US-20080207698-A1 Novel Compounds 569 ASTRAZENECA AB (SE) 2008-08-28 US disclosed
US-20080207698-A1 Novel Compounds 569 ASTRAZENECA AB (SE) 2008-08-28 US disclosed
US-20080207698-A1 Novel Compounds 569 ASTRAZENECA AB (SE) 2008-08-28 US disclosed
WO-2008075026-A1 4-HYDR0XY-2-0X0-2, 3 -DIHYDRO- 1, 3-BENZOTHIAZOL- 7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
WO-2008075026-A1 4-HYDR0XY-2-0X0-2, 3 -DIHYDRO- 1, 3-BENZOTHIAZOL- 7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2008-06-26 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 (3 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-20080207698-A1 Novel Compounds 569 RB1, CNKSR1, CDK9 SMYD2 3840/4885ADRB2 1549/4885
US-20100022491-A1 4-HYDROXY-2-OXO-2,3-DIHYDRO-1,3-BENZOTHIAZOL-7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY ADRB2, ADRB1, ADRA2C SMYD2 3657/4885ADRB2 1/4885
US-20100249200-A1 Novel Compounds 569 RB1, CNKSR1, CDK9 SMYD2 3840/4885ADRB2 1549/4885

“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.