SCHEMBL1734755

SCHEMBL1734755

O=C([C@@H]1CN(S(=O)(=O)c2ccccc2)C(=O)N1C1CCCCC1)N1CCN(c2nccc3sccc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.41
ABCB1 P08183 1/20 0.40
ABCC1 P33527 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DRD2 P14416 8/20 0.38
HTR2A P28223 8/20 0.38
DRD3 P35462 7/20 0.38
HTR1A P08908 1/20 0.38
HTR2C P28335 1/20 0.37
HTR6 P50406 1/20 0.36

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
SCHEMBL1734751 1.00 NAMPT (0.41) NAMPTABCB1ABCC1ABCG2ALDH1A1
SCHEMBL1734646 0.81 LMNA (0.41) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL1735079 0.81 HSD11B1 (0.53)
SCHEMBL1735083 0.81 HSD11B1 (0.53)
SCHEMBL1735631 0.81 HDAC2 (0.47) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL1734702 0.81 ALDH1A1 (0.51) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL1734700 0.81 ALDH1A1 (0.51) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL1734689 0.79 CPT2 (0.51) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL1735662 0.79 LMNA (0.40) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL1734688 0.79 CPT2 (0.51) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2

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
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
US-7625902-B2 Imidazolidinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-12-01 US 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 NAMPT 3021/4885ABCB1 404/4885ABCC1 432/4885

“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.