SCHEMBL1734616

SCHEMBL1734616

Cc1ccc(C)c(N2CCN(C(=O)[C@@H]3CN(S(=O)(=O)CC4CCCCC4)C(=O)N3Cc3ccccc3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.46
LMNA P02545 5/20 0.46
HTT P42858 3/20 0.43
OPRK1 P41145 1/20 0.43
TP53 P04637 4/20 0.43
USP2 O75604 4/20 0.42
KMT2A Q03164 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 2/20 0.42
MAPK10 P53779 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 4/20 0.41
THRB P10828 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL1734619 1.00 MAPT (0.46) MAPTLMNAHTTOPRK1TP53
SCHEMBL1734739 0.88 MAPT (0.44) MAPTLMNAHTTOPRK1TP53
SCHEMBL1734743 0.88 MAPT (0.44) MAPTLMNAHTTOPRK1TP53
SCHEMBL1734699 0.87 MAPT (0.47) MAPTLMNAHTTOPRK1TP53
SCHEMBL1734698 0.87 MAPT (0.47) MAPTLMNAHTTOPRK1TP53
SCHEMBL1734761 0.87 MAPT (0.47) MAPTLMNAHTTOPRK1TP53
SCHEMBL1734763 0.87 MAPT (0.47) MAPTLMNAHTTOPRK1TP53
SCHEMBL1735731 0.85 LMNA (0.50) MAPTLMNAHTTOPRK1TP53
SCHEMBL1735732 0.85 LMNA (0.50) MAPTLMNAHTTOPRK1TP53
SCHEMBL1735666 0.80 TP53 (0.46) MAPTLMNAHTTOPRK1TP53

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 13 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
CN-101641348-A Imidazolidinone derivatives HOFFMANN LA ROCHE CH 2010-02-03 CN 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 MAPT 4023/4885LMNA 1252/4885HTT 4446/4885

“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.