SCHEMBL1736119

SCHEMBL1736119

Cc1ccc(C#N)c(N2CCN(C(=O)C3CN(S(=O)(=O)c4ccccc4)C(=O)N3C3CCCCC3)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
P2RY12 Q9H244 5/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
HPGD P15428 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
KDM4E B2RXH2 3/20 0.39
CASP1 P29466 3/20 0.39
HSD17B10 Q99714 3/20 0.39
MAPK1 P28482 2/20 0.39
CASP7 P55210 2/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 5/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HRH4 Q9H3N8 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
USP2 O75604 1/20 0.35

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
SCHEMBL1735631 0.88 HDAC2 (0.47) ATMALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL1734622 0.88 LMNA (0.40) ALDH1A1MAPTHPGDL3MBTL1MAPK1
SCHEMBL1734620 0.88 LMNA (0.40) ALDH1A1MAPTHPGDL3MBTL1MAPK1
SCHEMBL1734646 0.87 LMNA (0.41) ALDH1A1MAPTHPGDL3MBTL1KDM4E
SCHEMBL1736746 0.84 LMNA (0.43) ALDH1A1MAPTHPGDL3MBTL1KDM4E
SCHEMBL1736745 0.84 LMNA (0.43) ALDH1A1MAPTHPGDL3MBTL1KDM4E
SCHEMBL1735689 0.81 CHRM4 (0.44) ALDH1A1MAPTHPGDL3MBTL1MAPK1
SCHEMBL1734700 0.78 ALDH1A1 (0.51) ALDH1A1MAPTHPGDL3MBTL1KDM4E
SCHEMBL1734702 0.78 ALDH1A1 (0.51) ALDH1A1MAPTHPGDL3MBTL1KDM4E
SCHEMBL1734689 0.78 CPT2 (0.51) ATMALDH1A1MAPTHPGDL3MBTL1

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 12 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
EP-2142533-A1 IMIDAZOLIDINONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-01-13 EP claimed
US-7625902-B2 Imidazolidinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-12-01 US claimed
WO-2008119657-A1 IMIDAZOLIDINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-10-09 WO 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 ATM 1524/4885P2RY12 2096/4885ALDH1A1 1786/4885

“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.