SCHEMBL6569859

SCHEMBL6569859

O=C(NO)c1ccc(C(=O)NCc2ccc(F)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.73
HDAC1 Q13547 8/20 0.73
HDAC8 Q9BY41 8/20 0.71
HDAC3 O15379 6/20 0.71
HDAC2 Q92769 5/20 0.70
L3MBTL1 Q9Y468 1/20 0.69
LMNA P02545 1/20 0.68
HDAC4 P56524 5/20 0.67
HDAC7 Q8WUI4 5/20 0.67
HDAC11 Q96DB2 5/20 0.67
HDAC9 Q9UKV0 5/20 0.67
HDAC5 Q9UQL6 5/20 0.67
HDAC10 Q969S8 4/20 0.67
NCOR2 Q9Y618 1/20 0.64
CXCR4 P61073 1/20 0.59
CYP3A4 P08684 1/20 0.58
MAPK14 Q16539 1/20 0.58

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
SCHEMBL6077802 0.93 L3MBTL1 (0.77) HDAC6HDAC1HDAC8HDAC3L3MBTL1
SCHEMBL3030027 0.89 HDAC6 (0.74) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL3024525 0.88 HDAC6 (0.72) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL3455449 0.86 L3MBTL1 (0.69) HDAC6HDAC1HDAC8HDAC3L3MBTL1
SCHEMBL10099566 0.86 NR1H4 (0.69) HDAC6HDAC1L3MBTL1LMNACXCR4
SCHEMBL6357065 0.85 LMNA (0.70) L3MBTL1LMNACXCR4MAPK14
SCHEMBL95283 0.85 L3MBTL1 (0.67) HDAC6HDAC1HDAC8HDAC3L3MBTL1
SCHEMBL10099594 0.85 LMNA (0.70) L3MBTL1LMNACXCR4MAPK14
SCHEMBL19630565 0.85 EPHX2 (0.68) HDAC6HDAC1L3MBTL1LMNACXCR4
SCHEMBL8429875 0.85 LMNA (0.70) L3MBTL1LMNACXCR4CYP3A4MAPK14

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 HDAC6 13/4885HDAC1 1/4885HDAC8 6/4885
US-20030013757-A1 Aromatic dicarboxylic acid derivatives HDAC1, HDAC2, HDAC11 HDAC6 13/4885HDAC1 1/4885HDAC8 6/4885

“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.