SCHEMBL1885830

SCHEMBL1885830

O=C(CCc1ccc(C(=O)NO)s1)NCC(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
ITGB3 P05106 6/20 0.43
ITGAV P06756 6/20 0.43
HDAC6 Q9UBN7 3/20 0.40
ITGA2B P08514 3/20 0.40
DUT P33316 1/20 0.40
HDAC8 Q9BY41 2/20 0.39
HDAC11 Q96DB2 1/20 0.39
TACR1 P25103 2/20 0.39
TRPV1 Q8NER1 2/20 0.39
HDAC2 Q92769 1/20 0.38
ASAH1 Q13510 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
SCHEMBL1886364 0.82 TRPV1 (0.59) HDAC1HDAC3HDAC4HDAC6HDAC8
SCHEMBL1888605 0.81 HDAC6 (0.58) HDAC1HDAC3HDAC4HDAC6HDAC8
SCHEMBL1891734 0.79 MAPT (0.54) HDAC1HDAC3HDAC4HDAC6HDAC8
SCHEMBL1885193 0.79 L3MBTL1 (0.61) HDAC1HDAC3HDAC4HDAC6HDAC8
SCHEMBL12672514 0.72 HDAC1 (0.63) HDAC1HDAC3HDAC4HDAC6HDAC8
SCHEMBL1883865 0.71 HDAC1 (0.45) HDAC1HDAC3HDAC4HDAC6HDAC8
SCHEMBL1883867 0.71 HDAC1 (0.45) HDAC1HDAC3HDAC4HDAC6HDAC8
SCHEMBL12663205 0.71 HDAC6 (0.51) HDAC1HDAC3HDAC4HDAC6
SCHEMBL6259991 0.71 SLC1A2 (0.56) SLC1A2SLC1A1DUTTACR1ASAH1
SCHEMBL2408037 0.69 EPHX1 (0.55) HDAC1HDAC3HDAC4HDAC6HDAC8

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-1677731-A4 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES ATON PHARMA INC (US) 2009-05-06 EP claimed
US-20070213392-A1 Thiophene and Benzothiophene Hydroxamic Acid Derivatives MERCK HDAC RESEARCH, LLC 2007-09-13 US claimed
EP-1677731-A2 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES Aton Pharma, Inc. (US) 2006-07-12 EP claimed
WO-2005034880-A2 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES ATON PHARMA, INC. (US) 2005-04-21 WO 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 9/4885HDAC3 27/4885HDAC4 17/4885

“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.