SCHEMBL1889466

SCHEMBL1889466

COc1ccc(OC)c(CC(=O)Nc2ccc3sc(C(=O)NO)cc3c2)c1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.62
CLK1 P49759 10/20 0.50
CLK2 P49760 3/20 0.49
CLK4 Q9HAZ1 2/20 0.49
GLS O94925 1/20 0.49
CSNK1D P48730 1/20 0.48
DYRK1A Q13627 1/20 0.47

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
SCHEMBL1888025 0.92 HDAC1 (0.74) HDAC1GLSCSNK1D
SCHEMBL1886036 0.85 HDAC1 (0.84) HDAC1CLK1CSNK1D
SCHEMBL1890073 0.83 HDAC1 (0.67) HDAC1
SCHEMBL1889763 0.82 HDAC1 (0.72) HDAC1CLK1CSNK1D
SCHEMBL12663159 0.79 HDAC1 (0.67) HDAC1
SCHEMBL19427517 0.79 HSD17B10 (0.60) GLS
SCHEMBL19427715 0.78 HSD17B10 (0.63) GLS
SCHEMBL5809353 0.78 HDAC1 (0.54) HDAC1CLK1
SCHEMBL6508477 0.78 HDAC1 (0.71) HDAC1
SCHEMBL5808017 0.78 HDAC1 (0.62) HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935724-B2 Thiophene and benzothiophene hydroxamic acid derivatives MERCK HDAC RESEARCH, LLC (US) 2011-05-03 US claimed
US-20070213392-A1 Thiophene and Benzothiophene Hydroxamic Acid Derivatives MERCK HDAC RESEARCH, LLC 2007-09-13 US claimed
US-7935724-B2 Thiophene and benzothiophene hydroxamic acid derivatives MERCK HDAC RESEARCH, LLC (US) 2011-05-03 US disclosed
US-7935724-B2 Thiophene and benzothiophene hydroxamic acid derivatives MERCK HDAC RESEARCH, LLC (US) 2011-05-03 US disclosed
US-7935724-B2 Thiophene and benzothiophene hydroxamic acid derivatives MERCK HDAC RESEARCH, LLC (US) 2011-05-03 US disclosed
EP-1677731-A4 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES ATON PHARMA INC (US) 2009-05-06 EP disclosed
US-20070213392-A1 Thiophene and Benzothiophene Hydroxamic Acid Derivatives MERCK HDAC RESEARCH, LLC 2007-09-13 US disclosed
US-20070213392-A1 Thiophene and Benzothiophene Hydroxamic Acid Derivatives MERCK HDAC RESEARCH, LLC 2007-09-13 US disclosed
US-20070213392-A1 Thiophene and Benzothiophene Hydroxamic Acid Derivatives MERCK HDAC RESEARCH, LLC 2007-09-13 US disclosed
EP-1677731-A2 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES Aton Pharma, Inc. (US) 2006-07-12 EP disclosed
WO-2005034880-A2 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES ATON PHARMA, INC. (US) 2005-04-21 WO disclosed
WO-2005034880-A2 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES ATON PHARMA, INC. (US) 2005-04-21 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-20070213392-A1 Thiophene and Benzothiophene Hydroxamic Acid Derivatives BRDT, TXN, TXNRD2 HDAC1 9/4885CLK1 3893/4885CLK2 4064/4885

“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.