SCHEMBL8290261

SCHEMBL8290261

O=C(NCCc1ccccc1)c1ccc2cc(C(=O)NO)sc2c1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.78
HDAC2 Q92769 2/20 0.63
HDAC8 Q9BY41 2/20 0.63
HDAC6 Q9UBN7 2/20 0.63
HDAC3 O15379 1/20 0.62
HDAC4 P56524 1/20 0.62
HDAC7 Q8WUI4 1/20 0.62
HDAC10 Q969S8 1/20 0.62
HDAC11 Q96DB2 1/20 0.62
HDAC9 Q9UKV0 1/20 0.62
HDAC5 Q9UQL6 1/20 0.62
CLK1 P49759 1/20 0.56
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54

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
SCHEMBL8290250 0.93 HDAC1 (0.74) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL8291143 0.90 HDAC1 (0.78) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL8291123 0.88 HDAC1 (1.00) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL8290259 0.83 HDAC1 (0.74) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL3454460 0.83 HDAC2 (0.80) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL8291902 0.83 HDAC1 (0.60) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL1889838 0.82 HDAC1 (0.75) HDAC1HDAC2
SCHEMBL8291934 0.82 HDAC1 (0.73) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL19823622 0.82 MEN1 (0.73) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL31530567 0.82 MEN1 (0.73) HDAC1HDAC2HDAC8HDAC6HDAC3

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 5 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 disclosed
US-7935724-B2 Thiophene and benzothiophene hydroxamic acid derivatives MERCK HDAC RESEARCH, LLC (US) 2011-05-03 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
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 9/4885HDAC2 21/4885HDAC8 75/4885

“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.