SCHEMBL1734689

SCHEMBL1734689

Cc1ccnc(N2CCN(C(=O)[C@@H]3CN(S(=O)(=O)c4ccccc4)C(=O)N3C3CCCCC3)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 2/20 0.51
CPT1A P50416 2/20 0.51
CPT1B Q92523 1/20 0.51
LMNA P02545 8/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 4/20 0.42
ALDH1A1 P00352 7/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 7/20 0.41
HSD17B10 Q99714 5/20 0.41
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 2/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 1/20 0.39
PARP1 P09874 1/20 0.39
ATM Q13315 1/20 0.38

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
SCHEMBL1734688 1.00 CPT2 (0.51) CPT2CPT1ACPT1BLMNAKMT2A
SCHEMBL1734702 0.89 ALDH1A1 (0.51) CPT2CPT1ALMNAKMT2AMEN1
SCHEMBL1734700 0.89 ALDH1A1 (0.51) CPT2CPT1ALMNAKMT2AMEN1
SCHEMBL1735673 0.85 MAPT (0.56) LMNAKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL1736746 0.85 LMNA (0.43) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL1735675 0.85 MAPT (0.56) LMNAKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL1736745 0.85 LMNA (0.43) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL1734635 0.84 MAPT (0.56) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL1734636 0.84 MAPT (0.56) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL1734646 0.84 LMNA (0.41) LMNAKMT2AMEN1MAPTALDH1A1

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 CPT2 1431/4885CPT1A 100/4885CPT1B 451/4885

“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.