SCHEMBL6076459

SCHEMBL6076459

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

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.65
HDAC2 Q92769 12/20 0.65
HDAC3 O15379 8/20 0.65
HDAC6 Q9UBN7 4/20 0.65
HDAC4 P56524 3/20 0.65
HDAC7 Q8WUI4 3/20 0.65
HDAC10 Q969S8 3/20 0.65
HDAC11 Q96DB2 3/20 0.65
HDAC8 Q9BY41 3/20 0.65
HDAC9 Q9UKV0 3/20 0.65
HDAC5 Q9UQL6 3/20 0.65
NCOR2 Q9Y618 2/20 0.57
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA9 Q16790 1/20 0.55
NCOR1 O75376 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
SCHEMBL4495461 0.84 CA12 (0.59) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL6076998 0.82 HDAC1 (0.62) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL27636097 0.81 HDAC1 (0.84) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL6076421 0.80 HDAC1 (0.68) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL673705 0.79 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL6077758 0.79 HDAC1 (0.70) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL6077129 0.79 HDAC1 (0.81) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL13646260 0.79 HDAC1 (0.63) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL2759480 0.79 HDAC1 (0.74) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL2413064 0.78 HDAC1 (0.71) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7098247-B2 Arylene-carboxylic acid (2-amino-phenyl)-amide derivatives HOFFMANN-LA ROCHE INC. (US) 2006-08-29 US 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
US-7098247-B2 Arylene-carboxylic acid (2-amino-phenyl)-amide derivatives HOFFMANN-LA ROCHE INC. (US) 2006-08-29 US 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.