SCHEMBL2823317

SCHEMBL2823317

CN(C)C(=S)ON1C(=O)C2CCCCC2C1=O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
PDE4A P27815 2/20 0.31
PDE4B Q07343 2/20 0.31
PDE4C Q08493 2/20 0.31
PDE4D Q08499 2/20 0.31
RAB9A P51151 2/20 0.31
NTSR1 P30989 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
FAAH O00519 1/20 0.31
PHGDH O43175 1/20 0.31
MGLL Q99685 1/20 0.31
ALDH1A1 P00352 1/20 0.30
NPC1 O15118 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1537360 0.74 HTT (0.39) HTTRAB9ANTSR1NPSR1KDM4E
SCHEMBL13327127 0.73 MAPT (0.38) HTTPDE4APDE4BPDE4CPDE4D
SCHEMBL2825657 0.72 ALDH1A1 (0.47) HTTRAB9AKDM4ELMNATDP1
SCHEMBL2826280 0.72 MGLL (0.30) MGLL
SCHEMBL18840159 0.71 HTT (0.36) HTTRAB9ANTSR1NPSR1KDM4E
SCHEMBL18843394 0.71 HTT (0.36) HTTRAB9ANTSR1NPSR1KDM4E
SCHEMBL7806229 0.70 HTT (0.43) HTTRAB9AKDM4ELMNATDP1
SCHEMBL2828765 0.70
SCHEMBL10233911 0.69 HTT (0.36) HTTRAB9ANTSR1NPSR1KDM4E
SCHEMBL18840210 0.69 ALDH1A1 (0.46) HTTPDE4APDE4BPDE4CPDE4D

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
CN-101056893-B N-substituted imides as polymerization initiators CIBA SC HOLDING AG 2011-06-08 CN disclosed
EP-1828258-B1 N-SUBSTITUTED IMIDES AS POLYMERIZATION INITIATORS BASF SE (DE) 2010-06-30 EP disclosed
EP-1828258-B1 N-SUBSTITUTED IMIDES AS POLYMERIZATION INITIATORS BASF SE (DE) 2010-06-30 EP disclosed
US-7723399-B2 N-substituted imides as polymerization initiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-05-25 US disclosed
US-7723399-B2 N-substituted imides as polymerization initiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-05-25 US disclosed
US-7723399-B2 N-substituted imides as polymerization initiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-05-25 US disclosed
US-20080132600-A1 N-Substituted Imides As Polymerization Initiators CIBA SPECIALTY CHEMICALS CORP. 2008-06-05 US disclosed
US-20080132600-A1 N-Substituted Imides As Polymerization Initiators CIBA SPECIALTY CHEMICALS CORP. 2008-06-05 US disclosed
US-20080132600-A1 N-Substituted Imides As Polymerization Initiators CIBA SPECIALTY CHEMICALS CORP. 2008-06-05 US disclosed
CN-101056893-A N-substituted imides as polymerization initiators CIBA SC HOLDING AG (CH) 2007-10-17 CN disclosed
EP-1828258-A1 N-SUBSTITUTED IMIDES AS POLYMERIZATION INITIATORS Ciba Specialty Chemicals Holding Inc. (CH) 2007-09-05 EP disclosed
WO-2006051047-A1 N-SUBSTITUTED IMIDES AS POLYMERIZATION INITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-05-18 WO 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-20080132600-A1 N-Substituted Imides As Polymerization Initiators NR1H3, SIGMAR1, NR1H2 HTT 1883/4885PDE4A 4716/4885PDE4B 4761/4885

“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.