SCHEMBL4126525

SCHEMBL4126525

CC(=O)N(C)CCC(=O)Nc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2NC(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.54
HDAC2 Q92769 5/20 0.54
HDAC3 O15379 3/20 0.54
HDAC4 P56524 2/20 0.54
HDAC7 Q8WUI4 2/20 0.54
HDAC10 Q969S8 2/20 0.54
HDAC11 Q96DB2 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC9 Q9UKV0 2/20 0.54
HDAC5 Q9UQL6 2/20 0.54
KCNH2 Q12809 2/20 0.46

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
SCHEMBL651892 0.88 HDAC1 (0.71) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL653692 0.85 HDAC1 (0.50) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3692595 0.84 HDAC1 (0.54) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL23673781 0.84 HDAC1 (0.74) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL654755 0.81 HDAC1 (0.60) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4313201 0.80 HDAC2 (0.50) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4320582 0.78 HDAC1 (0.51) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4318022 0.78 HDAC1 (0.58) HDAC1HDAC2HDAC3
SCHEMBL4669167 0.77 HDAC1 (0.59) HDAC1HDAC2HDAC3
SCHEMBL1066546 0.76 HDAC1 (0.60) HDAC1HDAC2HDAC3HDAC4HDAC7

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
EP-2013196-B1 DISUBSTITUTED ANILINE COMPOUNDS MERCK SHARP & DOHME (US) 2015-09-16 EP disclosed
US-20090221669-A1 Disubstituted Aniline Compounds MERCK SHARP & DOHME LLC 2009-09-03 US disclosed
EP-2013196-A2 DISUBSTITUTED ANILINE COMPOUNDS Merck & Co., Inc. (US) 2009-01-14 EP disclosed
WO-2007127137-A2 DISUBSTITUTED ANILINE COMPOUNDS MERCK & CO., INC. (US) 2007-11-08 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-20090221669-A1 Disubstituted Aniline Compounds TXNRD2, BRDT, HDAC1 HDAC1 3/4885HDAC2 14/4885HDAC3 16/4885

“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.