SCHEMBL6572354

SCHEMBL6572354

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

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.72
HDAC8 Q9BY41 6/20 0.72
HDAC3 O15379 5/20 0.72
HDAC1 Q13547 10/20 0.70
KDM1A O60341 3/20 0.70
LSS P48449 1/20 0.69
MAPK14 Q16539 1/20 0.66
HDAC2 Q92769 4/20 0.66
HDAC4 P56524 3/20 0.63
HDAC7 Q8WUI4 3/20 0.63
HDAC11 Q96DB2 3/20 0.63
HDAC9 Q9UKV0 3/20 0.63
HDAC5 Q9UQL6 3/20 0.63
HDAC10 Q969S8 2/20 0.63
EPHX2 P34913 1/20 0.61
PPARG P37231 1/20 0.61
PPARA Q07869 1/20 0.61
MLYCD O95822 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
SCHEMBL20477562 0.87 L3MBTL1 (0.69) HDAC1KDM1ALSSMAPK14EPHX2
SCHEMBL3455877 0.87 LSS (0.69) HDAC6HDAC8HDAC3HDAC1KDM1A
SCHEMBL4497840 0.87 LSS (0.69) HDAC6HDAC8HDAC3HDAC1KDM1A
SCHEMBL507529 0.86 LSS (0.68) HDAC1KDM1ALSSMAPK14EPHX2
SCHEMBL20477571 0.86 MEN1 (0.73) LSSMAPK14EPHX2PPARGPPARA
SCHEMBL3158764 0.86 EPHX2 (0.73) HDAC1KDM1ALSSMAPK14EPHX2
SCHEMBL13947580 0.86 LSS (0.72) HDAC6HDAC8HDAC3LSSMAPK14
SCHEMBL2634030 0.85 MAPK14 (0.76) HDAC6HDAC8HDAC3HDAC1LSS
SCHEMBL11979758 0.85 MAPK14 (0.76) HDAC6HDAC8HDAC1LSSMAPK14
SCHEMBL8239268 0.84 HDAC1 (0.61) HDAC6HDAC8HDAC3HDAC1KDM1A

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 13/4885HDAC8 6/4885HDAC3 4/4885
US-20030013757-A1 Aromatic dicarboxylic acid derivatives HDAC1, HDAC2, HDAC11 HDAC6 13/4885HDAC8 6/4885HDAC3 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.