SCHEMBL1734700

SCHEMBL1734700

O=C(C1CN(S(=O)(=O)c2ccccc2)C(=O)N1C1CCCCC1)N1CCN(c2ccccn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.51
KDM4E B2RXH2 9/20 0.51
HSD17B10 Q99714 7/20 0.51
LMNA P02545 6/20 0.51
CPT2 P23786 1/20 0.48
CPT1A P50416 1/20 0.48
MAPT P10636 3/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
MAPK1 P28482 3/20 0.46
HPGD P15428 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 3/20 0.46
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.44
ADRB2 P07550 2/20 0.43

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
SCHEMBL1734702 1.00 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10LMNACPT2
SCHEMBL1734688 0.89 CPT2 (0.51) ALDH1A1KDM4EHSD17B10LMNACPT2
SCHEMBL1734689 0.89 CPT2 (0.51) ALDH1A1KDM4EHSD17B10LMNACPT2
SCHEMBL1735663 0.87 LMNA (0.48) ALDH1A1KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL1735665 0.87 LMNA (0.48) ALDH1A1KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL1736745 0.87 LMNA (0.43) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL1736746 0.87 LMNA (0.43) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL1735689 0.86 CHRM4 (0.44) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL1734646 0.86 LMNA (0.41) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL1735083 0.84 HSD11B1 (0.53) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142533-B1 IMIDAZOLIDINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-11-16 EP claimed
WO-2011069003-A3 METHODS AND SYSTEMS FOR THE TREATMENT OF ANXIETY DISORDERS AND DISORDERS WITH PSYCHOTIC FEATURES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-10-27 WO claimed
US-7625902-B2 Imidazolidinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-12-01 US claimed
US-20080242677-A1 IMIDAZOLIDINONE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-10-02 US claimed
EP-2142533-B1 IMIDAZOLIDINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-11-16 EP disclosed
WO-2011069003-A3 METHODS AND SYSTEMS FOR THE TREATMENT OF ANXIETY DISORDERS AND DISORDERS WITH PSYCHOTIC FEATURES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-10-27 WO disclosed
EP-2142533-A1 IMIDAZOLIDINONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-01-13 EP disclosed
US-7625902-B2 Imidazolidinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-12-01 US disclosed
WO-2008119657-A1 IMIDAZOLIDINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-10-09 WO disclosed
US-20080242677-A1 IMIDAZOLIDINONE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-10-02 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 (1 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-20080242677-A1 IMIDAZOLIDINONE DERIVATIVES NR1H2, NR1H3, NR1I2 ALDH1A1 1786/4885KDM4E 1988/4885HSD17B10 571/4885

“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.