SCHEMBL12663172

SCHEMBL12663172

Nc1ccccc1NC(=O)c1cc2ccccc2s1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 6/20 0.70
HDAC1 Q13547 5/20 0.62
HDAC3 O15379 2/20 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
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
HDAC9 Q9UKV0 1/20 0.62
HDAC5 Q9UQL6 1/20 0.62
DHPS P49366 1/20 0.60
TMIGD3 P0DMS9 3/20 0.57
ADORA1 P30542 3/20 0.57
STAT1 P42224 1/20 0.57
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
BCL2L1 Q07817 1/20 0.53

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
SCHEMBL15652835 0.90 HDAC2 (0.72) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL13036365 0.83 HDAC2 (0.53) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL15933385 0.83 HDAC2 (1.00) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL13074150 0.83 HDAC2 (0.61) HDAC2HDAC1HDAC3DHPSMAPK1
SCHEMBL21446806 0.83 HDAC1 (0.59) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL3579035 0.81 HDAC1 (0.65) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL6288990 0.80 HDAC1 (0.51) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL1066615 0.80 HDAC1 (0.67) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL7712103 0.79 HDAC1 (0.62) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL3568743 0.79 HDAC2 (0.66) HDAC2HDAC1HDAC3HDAC4HDAC7

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 4 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

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 HDAC2 21/4885HDAC1 9/4885HDAC3 27/4885

“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.