SCHEMBL6570908

SCHEMBL6570908

O=C(NO)c1ccc(C(=O)NCc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 12/20 1.00
HDAC8 Q9BY41 11/20 1.00
HDAC2 Q92769 8/20 1.00
HDAC1 Q13547 8/20 0.90
HDAC3 O15379 6/20 0.81
HDAC4 P56524 5/20 0.81
HDAC7 Q8WUI4 5/20 0.81
HDAC10 Q969S8 5/20 0.81
HDAC11 Q96DB2 5/20 0.81
HDAC9 Q9UKV0 5/20 0.81
HDAC5 Q9UQL6 5/20 0.81
HPGD P15428 1/20 0.70
LMNA P02545 1/20 0.68
RAB9A P51151 1/20 0.68
ROCK2 O75116 1/20 0.64
RPS6KA5 O75582 1/20 0.64
MAP4K4 O95819 1/20 0.64
PRKCG P05129 1/20 0.64
PRKACA P17612 1/20 0.64
RPS6KB1 P23443 1/20 0.64

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
SCHEMBL3025457 0.95 HDAC6 (0.91) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL2829167 0.95 HDAC6 (1.00) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL11900090 0.92 HDAC6 (0.85) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL6386658 0.90 HDAC6 (1.00) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL6919516 0.89 HDAC6 (0.81) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL3034687 0.89 HDAC6 (0.83) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL457082 0.88 HDAC6 (0.79) HDAC6HDAC8HDAC2HDAC1HPGD
SCHEMBL8042301 0.87 HDAC6 (0.77) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL3033469 0.87 HDAC6 (0.81) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL6843720 0.87 HDAC6 (0.77) HDAC6HDAC8HDAC2HDAC1HDAC3

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 6/4885HDAC2 2/4885
US-20030013757-A1 Aromatic dicarboxylic acid derivatives HDAC1, HDAC2, HDAC11 HDAC6 13/4885HDAC8 6/4885HDAC2 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.