SCHEMBL11929680

SCHEMBL11929680

CNS(=O)(=O)c1cc(-c2nnn[nH]2)c(NCc2cccs2)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.55
PDE3A Q14432 1/20 0.55
APP P05067 5/20 0.49
CISD1 Q9NZ45 1/20 0.45
POLB P06746 1/20 0.39
TSHR P16473 2/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGS2 P35354 3/20 0.36
MAPK1 P28482 2/20 0.35
NR1H4 Q96RI1 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
KCNN1 Q92952 1/20 0.33
KCNN2 Q9H2S1 1/20 0.33
KCNN3 Q9UGI6 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL10281116 0.91 PDE4D (0.54) PDE4DPDE3AAPPCISD1POLB
Azosemide SCHEMBL30754398 0.89 PDE4D (0.70) PDE4DPDE3AAPPCISD1POLB
Azosemide SCHEMBL4421865 0.89 PDE4D (0.70) PDE4DPDE3AAPPCISD1POLB
Azosemide SCHEMBL48976 0.89 PDE4D (0.70) PDE4DPDE3AAPPCISD1POLB
Azosemide SCHEMBL8988688 0.88 PDE4D (0.69) PDE4DPDE3AAPPCISD1POLB
Azosemide SCHEMBL231405 0.83 PDE4D (0.58) PDE4DPDE3AAPPCISD1POLB
SCHEMBL22852404 0.83 APP (0.71) PDE4DPDE3AAPPCISD1POLB
Azosemide SCHEMBL230626 0.82 PDE4D (0.62) PDE4DPDE3AAPPCISD1POLB
SCHEMBL10169463 0.81 PDE4D (0.47) PDE4DPDE3ACISD1POLBTSHR
SCHEMBL12522802 0.81 PDE4D (0.55) PDE4DPDE3ACISD1TSHRKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180194732-A1 MULTI-API LOADING PRODRUGS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2018-07-12 US disclosed
US-20160024011-A1 Multi-API Loading Prodrugs ALKERMES PHARMA IRELAND LTD (IE) 2016-01-28 US disclosed
US-20120202823-A1 Multi-API Loading Prodrugs ALKERMES, INC. 2012-08-09 US disclosed
US-7544711-B2 Use of nitroderivatives in urinary incontinence NICOX S.A. (FR) 2009-06-09 US disclosed
US-7282519-B2 Nitrosated and nitrosylated diuretic compounds, compositions and methods of use NITROMED, INC. (US) 2007-10-16 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 (3 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-20160024011-A1 Multi-API Loading Prodrugs AADAC, PAICS, ABCG2 PDE4D 729/4885PDE3A 341/4885APP 2849/4885
US-20120202823-A1 Multi-API Loading Prodrugs AADAC, PAICS, ABCG2 PDE4D 729/4885PDE3A 341/4885APP 2849/4885
US-20180194732-A1 MULTI-API LOADING PRODRUGS AADAC, PAICS, ABCG2 PDE4D 729/4885PDE3A 341/4885APP 2849/4885

“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.