SCHEMBL1891734

SCHEMBL1891734

O=C(CCc1ccc(C(=O)NO)s1)Nc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
HTT P42858 1/20 0.54
HDAC1 Q13547 9/20 0.51
HDAC6 Q9UBN7 7/20 0.51
HDAC4 P56524 6/20 0.51
HDAC7 Q8WUI4 6/20 0.51
HDAC11 Q96DB2 6/20 0.51
HDAC8 Q9BY41 6/20 0.51
HDAC9 Q9UKV0 6/20 0.51
HDAC5 Q9UQL6 6/20 0.51
HDAC3 O15379 6/20 0.51
HDAC2 Q92769 6/20 0.51
HDAC10 Q969S8 6/20 0.51
KDM4E B2RXH2 1/20 0.51
BRD4 O60885 1/20 0.51
NCOR1 O75376 1/20 0.51
NR1I2 O75469 1/20 0.51
EGFR P00533 1/20 0.51
CYP3A4 P08684 1/20 0.51
LTA4H P09960 1/20 0.51

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
SCHEMBL12663206 0.82 SENP1 (0.56) MAPTHDAC1HDAC6HDAC2LTA4H
SCHEMBL1886364 0.81 TRPV1 (0.59) HTTHDAC1HDAC6HDAC4HDAC7
SCHEMBL1888605 0.80 HDAC6 (0.58) MAPTHDAC1HDAC6HDAC4HDAC7
SCHEMBL13601874 0.79 NPC1 (0.55) MAPTHTTHDAC1HDAC6HDAC4
SCHEMBL1885830 0.79 HDAC1 (0.46) HDAC1HDAC6HDAC4HDAC11HDAC8
SCHEMBL1885193 0.78 L3MBTL1 (0.61) HDAC1HDAC6HDAC4HDAC7HDAC11
SCHEMBL12663168 0.77 POLB (0.60) MAPTHTTHDAC1HDAC6HDAC4
SCHEMBL27549875 0.76 NPC1 (0.67) MAPTHTTHDAC1HDAC6HDAC4
SCHEMBL12663207 0.73 HDAC6 (0.59) HTTHDAC1HDAC6HDAC4HDAC7
SCHEMBL10445358 0.73 MAPT (0.60) MAPTHTTKDM4EGAAL3MBTL1

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 MAPT 1515/4885HTT 23/4885HDAC1 9/4885

“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.