SCHEMBL6570852

SCHEMBL6570852

O=C(NO)c1ccc(C(=O)NCc2cccc3ccccc23)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.69
HDAC6 Q9UBN7 10/20 0.66
HDAC1 Q13547 9/20 0.66
HDAC8 Q9BY41 6/20 0.66
HDAC2 Q92769 5/20 0.66
HDAC4 P56524 4/20 0.66
HDAC3 O15379 3/20 0.66
HDAC7 Q8WUI4 3/20 0.66
HDAC10 Q969S8 3/20 0.66
HDAC11 Q96DB2 3/20 0.66
HDAC9 Q9UKV0 3/20 0.66
HDAC5 Q9UQL6 3/20 0.66
CHRNB2 P17787 1/20 0.57
CHRNA4 P43681 1/20 0.57
MEN1 O00255 1/20 0.55
MAPT P10636 1/20 0.55
KMT2A Q03164 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
SCHEMBL3817884 0.89 CA2 (0.70) CA2CHRNB2CHRNA4MEN1MAPT
SCHEMBL29601205 0.84 MEN1 (0.70) CA2HDAC6HDAC8HDAC3CHRNB2
SCHEMBL13762090 0.84 MEN1 (0.70) CA2HDAC6HDAC8HDAC3CHRNB2
SCHEMBL1927790 0.81 CA2 (0.57) CA2HDAC6HDAC8HDAC2CHRNB2
SCHEMBL13988501 0.80 CA2 (0.56) CA2HDAC6HDAC1HDAC8HDAC2
SCHEMBL14082166 0.79 CA2 (0.58) CA2CHRNB2CHRNA4
SCHEMBL7313781 0.79 HDAC6 (0.54) CA2HDAC6HDAC1HDAC8HDAC2
SCHEMBL22323341 0.79 MEN1 (0.66) CA2CHRNB2CHRNA4MEN1MAPT
SCHEMBL3767060 0.78 CA2 (0.61) CA2CHRNB2CHRNA4MEN1MAPT
SCHEMBL1928101 0.78 CHRNB2 (0.64) CA2HDAC8CHRNB2CHRNA4MEN1

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 CA2 678/4885HDAC6 13/4885HDAC1 1/4885
US-20030013757-A1 Aromatic dicarboxylic acid derivatives HDAC1, HDAC2, HDAC11 CA2 678/4885HDAC6 13/4885HDAC1 1/4885

“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.