SCHEMBL6570911

SCHEMBL6570911

O=C(NO)c1ccc(C(=O)NCc2cccc(Cl)c2)cc1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.76
HDAC6 Q9UBN7 8/20 0.67
HDAC2 Q92769 5/20 0.67
HDAC8 Q9BY41 5/20 0.67
HDAC3 O15379 3/20 0.63
NPC1 O15118 1/20 0.63
HDAC4 P56524 3/20 0.61
HDAC7 Q8WUI4 3/20 0.61
HDAC11 Q96DB2 3/20 0.61
HDAC9 Q9UKV0 3/20 0.61
HDAC5 Q9UQL6 3/20 0.61
CXCR3 P49682 1/20 0.57
HDAC10 Q969S8 2/20 0.56
MEN1 O00255 1/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL3028316 0.96 HDAC1 (0.71) HDAC1HDAC6HDAC2HDAC8HDAC3
SCHEMBL3032521 0.92 HDAC1 (0.65) HDAC1HDAC6HDAC2HDAC8HDAC3
SCHEMBL3026593 0.90 HDAC1 (0.64) HDAC1HDAC6HDAC2HDAC8HDAC3
SCHEMBL3031610 0.89 HDAC6 (0.63) HDAC1HDAC6HDAC2HDAC8HDAC3
SCHEMBL3461102 0.88 NPC1 (0.70) HDAC1HDAC6HDAC2HDAC8NPC1
SCHEMBL19630494 0.87 NPC1 (0.61) HDAC1NPC1CXCR3MEN1MAPT
SCHEMBL13947495 0.87 NPC1 (0.61) HDAC1NPC1CXCR3MEN1MAPT
SCHEMBL30462959 0.87 NPC1 (0.61) HDAC1NPC1CXCR3MEN1MAPT
SCHEMBL1169303 0.87 HDAC1 (0.62) HDAC1NPC1CXCR3MEN1MAPT
SCHEMBL95732 0.87 NPC1 (0.61) HDAC1NPC1CXCR3MEN1MAPT

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 6 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-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 13/4885HDAC2 2/4885
US-20030013757-A1 Aromatic dicarboxylic acid derivatives HDAC1, HDAC2, HDAC11 HDAC1 1/4885HDAC6 13/4885HDAC2 2/4885

“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.