SCHEMBL5721752

SCHEMBL5721752

O=C(NO)c1ccc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)s1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.61
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HRH3 Q9Y5N1 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL5721922 0.88 HPGD (0.50) HPGDTSHRHRH3ALDH1A1POLB
SCHEMBL5721928 0.87 HPGD (0.81) HPGDHRH3KDM4ENPC1ALDH1A1
SCHEMBL1587973 0.79 HPGD (0.76) HPGDHRH3KDM4ENPC1ALDH1A1
SCHEMBL5721882 0.78 ALDH1A1 (0.45) HPGDTSHRHRH3KDM4ENPC1
SCHEMBL5721732 0.74 HPGD (0.67) HPGDHSD17B10HRH3ALDH1A1POLB
SCHEMBL1588349 0.73 HPGD (0.76) HPGDALOX15HSD17B10HRH3NPC1
SCHEMBL5721869 0.73 HDAC3 (0.54) HPGDHSD17B10HRH3KDM4ENPC1
SCHEMBL2638071 0.72 HPGD (0.86) HPGDTSHRHRH3NPC1ALDH1A1
SCHEMBL12082793 0.72 ALDH1A1 (0.79) HPGDALOX15TSHRHSD17B10HRH3
SCHEMBL3157121 0.71 HPGD (0.77) HPGDTSHRHSD17B10HRH3NPC1

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 1631/4885ALOX15 4551/4885TSHR 3423/4885
US-20030013757-A1 Aromatic dicarboxylic acid derivatives HDAC1, HDAC2, HDAC11 HPGD 1631/4885ALOX15 4551/4885TSHR 3423/4885

“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.