SCHEMBL6570639

SCHEMBL6570639

CCCCN(CCCC)C(=O)c1ccc(C(=O)NO)cc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 13/20 0.74
▸ HDAC6 Q9UBN7 13/20 0.74
▸ HDAC3 O15379 6/20 0.69
▸ HDAC2 Q92769 5/20 0.69
▸ NCOR2 Q9Y618 1/20 0.69
▸ HDAC8 Q9BY41 4/20 0.64
▸ HDAC7 Q8WUI4 3/20 0.64
▸ HDAC4 P56524 2/20 0.64
▸ HDAC9 Q9UKV0 2/20 0.64
▸ HDAC5 Q9UQL6 2/20 0.64
▸ HDAC10 Q969S8 2/20 0.64
▸ HDAC11 Q96DB2 1/20 0.64
▸ EGFR P00533 1/20 0.57
▸ ERBB2 P04626 1/20 0.57
▸ HSP90AA1 P07900 2/20 0.57
▸ GAA P10253 1/20 0.55
▸ HPGD P15428 1/20 0.55

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
SCHEMBL6674114 0.88 EGFR (0.70) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL14777030 0.83 EGFR (0.57) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL9645501 0.82 EGFR (0.63) HDAC1HDAC6HDAC3HDAC2EGFR
SCHEMBL5968306 0.81 EGFR (0.62) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL5968307 0.81 EGFR (0.62) HDAC1HDAC6HDAC3HDAC2EGFR
SCHEMBL10455765 0.81 EGFR (0.62) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL10725111 0.80 EGFR (0.61) HDAC1HDAC6EGFRERBB2GAA
SCHEMBL10758915 0.80 EGFR (0.61) HDAC1HDAC6EGFRERBB2GAA
SCHEMBL10759435 0.80 EGFR (0.61) HDAC1HDAC6EGFRERBB2GAA
SCHEMBL12443251 0.80 EGFR (0.57) HDAC1HDAC6HDAC3HDAC2NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040214862-A1 Aromatic dicarboxylic acid derivatives LESER-REIFF ULRIKE 2004-10-28 — — US claimed
US-20030013757-A1 Aromatic dicarboxylic acid derivatives HOFFMANN-LA ROCHE INC. 2003-01-16 — — US claimed
US-20040214862-A1 Aromatic dicarboxylic acid derivatives LESER-REIFF ULRIKE 2004-10-28 — — US disclosed
US-6784173-B2 ANTIPROLIFERATIVE AGENTS; ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2004-08-31 — — US disclosed
EP-1401824-A2 AROMATIC HYDROXAMIC ACID DERIVATIVES USEFUL AS HDAC INHIBITORS F. Hoffman-la Roche AG (CH) 2004-03-31 — — EP disclosed
WO-2003011851-A2 AROMATIC HYDROXAMIC ACID DERIVATIVES USEFUL AS HDAC INHIBITORS F. HOFFMAN-LA ROCHE AG (CH) 2003-02-13 — — WO disclosed
US-20030013757-A1 Aromatic dicarboxylic acid derivatives HOFFMANN-LA ROCHE INC. 2003-01-16 — — 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 (2 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-20040214862-A1 Aromatic dicarboxylic acid derivatives HDAC1, HDAC2, HDAC11 HDAC1 1/4885HDAC6 13/4885HDAC3 4/4885
US-20030013757-A1 Aromatic dicarboxylic acid derivatives HDAC1, HDAC2, HDAC11 HDAC1 1/4885HDAC6 13/4885HDAC3 4/4885

“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.

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