SCHEMBL6077577

SCHEMBL6077577

CC(C)C(=O)NCc1ccc(C(=O)Nc2ccccc2N)cc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.73
HDAC2 Q92769 9/20 0.68
HDAC3 O15379 6/20 0.68
HDAC6 Q9UBN7 4/20 0.68
HDAC4 P56524 3/20 0.68
HDAC7 Q8WUI4 3/20 0.68
HDAC10 Q969S8 3/20 0.68
HDAC11 Q96DB2 3/20 0.68
HDAC8 Q9BY41 3/20 0.68
HDAC9 Q9UKV0 3/20 0.68
HDAC5 Q9UQL6 3/20 0.68
NCOR2 Q9Y618 1/20 0.63

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
SCHEMBL6077758 0.89 HDAC1 (0.70) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL674693 0.86 HDAC1 (0.71) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL3641955 0.85 HDAC1 (1.00) HDAC1HDAC2HDAC3
SCHEMBL14261140 0.84 HDAC1 (0.66) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL6076130 0.84 HDAC1 (0.64) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL6078618 0.84 HDAC1 (0.78) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL1689286 0.84 HDAC1 (0.74) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL6243828 0.84 HDAC1 (0.76) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL675168 0.84 HDAC1 (0.76) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL29603842 0.84 HDAC1 (0.76) HDAC1HDAC2HDAC3HDAC6HDAC4

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101279927-A Arylene-carboxylic acid (2-amino-phenyl)-amide derivatives as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2008-10-08 CN claimed
US-7098247-B2 Arylene-carboxylic acid (2-amino-phenyl)-amide derivatives HOFFMANN-LA ROCHE INC. (US) 2006-08-29 US claimed
CN-1723192-A Arylene-carboxylic acid (2-amino-phenyl) -amide derivatives as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2006-01-18 CN claimed
EP-1572625-A1 ARYLENE-CARBOXYLIC ACID (2-AMINO-PHENYL)-AMIDE DERIVATIVES AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-14 EP claimed
US-20040138270-A1 Novel arylene-carboxylic acid (2-amino-phenyl)-amide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-07-15 US claimed
WO-2004052838-A1 ARYLENE-CARBOXYLIC ACID (2-AMINO-PHENYL)-AMIDE DERIVATIVES AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-24 WO claimed
CN-101279927-A Arylene-carboxylic acid (2-amino-phenyl)-amide derivatives as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2008-10-08 CN disclosed
US-7098247-B2 Arylene-carboxylic acid (2-amino-phenyl)-amide derivatives HOFFMANN-LA ROCHE INC. (US) 2006-08-29 US disclosed
CN-1723192-A Arylene-carboxylic acid (2-amino-phenyl) -amide derivatives as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2006-01-18 CN disclosed
EP-1572625-A1 ARYLENE-CARBOXYLIC ACID (2-AMINO-PHENYL)-AMIDE DERIVATIVES AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-14 EP disclosed
US-20040138270-A1 Novel arylene-carboxylic acid (2-amino-phenyl)-amide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-07-15 US disclosed
WO-2004052838-A1 ARYLENE-CARBOXYLIC ACID (2-AMINO-PHENYL)-AMIDE DERIVATIVES AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-24 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-20040138270-A1 Novel arylene-carboxylic acid (2-amino-phenyl)-amide derivatives MKI67, API5, ACIN1 HDAC1 757/4885HDAC2 619/4885HDAC3 1558/4885

“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.