SCHEMBL3745549

SCHEMBL3745549

CC(C)(C)OC(=O)N(Cc1ccccc1)Cc1ccc(CO)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC2 Q92769 1/20 0.60
NCOR2 Q9Y618 1/20 0.60
CTSL P07711 2/20 0.51
CTSB P07858 2/20 0.51
CTSS P25774 2/20 0.51
AKT1 P31749 3/20 0.47
LMNA P02545 1/20 0.45
RECQL P46063 1/20 0.44
ALDH1A1 P00352 1/20 0.43
BACE1 P56817 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AGTR1 P30556 1/20 0.42
AGTR2 P50052 1/20 0.42

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
SCHEMBL3151994 0.87 HDAC3 (0.59) HDAC3HDAC1HDAC2NCOR2CTSL
SCHEMBL14004878 0.87 HDAC3 (0.66) HDAC3HDAC1HDAC2NCOR2CTSL
SCHEMBL1369160 0.87 HDAC3 (0.47) HDAC3HDAC1HDAC2NCOR2CTSL
SCHEMBL2112935 0.85 HDAC3 (0.54) HDAC3HDAC1HDAC2NCOR2CTSL
SCHEMBL23288368 0.84 LMNA (0.60) HDAC3HDAC1HDAC2NCOR2CTSL
SCHEMBL4249245 0.84 HDAC3 (0.47) HDAC3HDAC1HDAC2NCOR2CTSL
SCHEMBL23912387 0.84 NR1H4 (0.46) HDAC3HDAC1HDAC2NCOR2CTSL
SCHEMBL28532859 0.84 HDAC3 (0.53) HDAC3HDAC1HDAC2NCOR2CTSL
SCHEMBL2834319 0.83 HDAC3 (0.55) HDAC3HDAC1HDAC2NCOR2CTSL
SCHEMBL7405554 0.83 HDAC3 (0.55) HDAC3HDAC1HDAC2NCOR2CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838522-B2 Benzothiazole formulations and use thereof ARES TRADING S.A. (CH) 2010-11-23 US disclosed
US-7838522-B2 Benzothiazole formulations and use thereof ARES TRADING S.A. (CH) 2010-11-23 US disclosed
EP-1812072-B1 BENZOTHIAZOLE FORMULATIONS AND USE THEREOF ARES TRADING SA (CH) 2008-10-22 EP disclosed
US-20080051397-A1 Benzothiazole Formulations and Use Thereof ARES TRADING S.A. (CH) 2008-02-28 US disclosed
US-20080051397-A1 Benzothiazole Formulations and Use Thereof ARES TRADING S.A. (CH) 2008-02-28 US disclosed
EP-1812072-A2 BENZOTHIAZOLE FORMULATIONS AND USE THEREOF Ares Trading S.A. (CH) 2007-08-01 EP disclosed
WO-2006053882-A2 BENZOTHIAZOLE FORMULATIONS AND USE THEREOF ARES TRADING S.A. (CH) 2006-05-26 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 (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-20080051397-A1 Benzothiazole Formulations and Use Thereof MGLL, MBOAT4, MBOAT1 HDAC3 2059/4885HDAC1 3457/4885HDAC2 2948/4885

“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.