SCHEMBL5721732

SCHEMBL5721732

O=C(NO)c1ccc(C(=O)N2CCCC2)s1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.67
POLB P06746 2/20 0.67
ALDH1A1 P00352 5/20 0.62
L3MBTL3 Q96JM7 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
YEATS4 O95619 1/20 0.57
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
HDAC8 Q9BY41 1/20 0.43
GRM5 P41594 1/20 0.43
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC1 Q13547 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL1587143 0.86 HPGD (0.58) HPGDPOLBALDH1A1L3MBTL3L3MBTL1
SCHEMBL5721869 0.85 HDAC3 (0.54) HPGDPOLBALDH1A1L3MBTL3L3MBTL1
SCHEMBL5721928 0.85 HPGD (0.81) HPGDPOLBALDH1A1L3MBTL3L3MBTL1
SCHEMBL5721922 0.85 HPGD (0.50) HPGDPOLBALDH1A1L3MBTL3L3MBTL1
SCHEMBL2637597 0.81 HPGD (0.66) HPGDPOLBALDH1A1L3MBTL3L3MBTL1
SCHEMBL3184163 0.80 HPGD (1.00) HPGDPOLBALDH1A1L3MBTL3L3MBTL1
SCHEMBL5721886 0.80 MAPT (0.68) HPGDPOLBALDH1A1MAPTRXFP1
SCHEMBL1587750 0.79 HPGD (0.58) HPGDPOLBALDH1A1L3MBTL3L3MBTL1
SCHEMBL5721802 0.79 ALDH1A1 (0.54) HPGDPOLBALDH1A1GAAMAPT
SCHEMBL3254670 0.79 HPGD (0.62) HPGDPOLBALDH1A1L3MBTL3L3MBTL1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6784173-B2 ANTIPROLIFERATIVE AGENTS; ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2004-08-31 US claimed
US-20030013757-A1 Aromatic dicarboxylic acid derivatives HOFFMANN-LA ROCHE INC. 2003-01-16 US claimed
EP-1401824-B1 AROMATIC HYDROXAMIC ACID DERIVATIVES USEFUL AS HDAC INHIBITORS HOFFMANN LA ROCHE (CH) 2006-10-25 EP disclosed
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 HPGD 1631/4885POLB 2118/4885ALDH1A1 71/4885
US-20030013757-A1 Aromatic dicarboxylic acid derivatives HDAC1, HDAC2, HDAC11 HPGD 1631/4885POLB 2118/4885ALDH1A1 71/4885

“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.