SCHEMBL4776320

SCHEMBL4776320

CC(=O)c1cc(OC(F)F)c(OC(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.42
CYP3A4 P08684 1/20 0.42
LMNA P02545 5/20 0.41
MAPT P10636 3/20 0.40
PDK1 Q15118 1/20 0.39
XBP1 P17861 2/20 0.38
CCR6 P51684 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37

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
SCHEMBL31716990 0.81 POLB (0.54) POLBHTTL3MBTL1NPC1CYP3A4
SCHEMBL4108486 0.80 L3MBTL1 (0.59) POLBHTTL3MBTL1NPC1CYP3A4
SCHEMBL30716507 0.80 L3MBTL1 (0.59) POLBHTTL3MBTL1NPC1CYP3A4
SCHEMBL9527341 0.78 LMNA (0.48) POLBHTTL3MBTL1LMNAMAPT
SCHEMBL29408211 0.76 MAPT (0.50) POLBHTTL3MBTL1LMNAMAPT
SCHEMBL22658048 0.76 MAPT (0.50) POLBHTTL3MBTL1LMNAMAPT
SCHEMBL4166120 0.75 L3MBTL1 (0.48) POLBHTTL3MBTL1NPC1CYP3A4
SCHEMBL9908175 0.74 L3MBTL1 (0.53) POLBHTTL3MBTL1NPC1CYP3A4
SCHEMBL9528380 0.74 LMNA (0.44) POLBHTTL3MBTL1NPC1CYP3A4
SCHEMBL8264782 0.73 KDM4E (0.43) HTTL3MBTL1NPC1CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1991530-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
EP-1991540-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
US-20070265270-A1 Cinnoline derivatives as phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-15 US disclosed
US-20070265256-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 US disclosed
WO-2007098214-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 WO disclosed
WO-2007098169-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 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 (2 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-20070265270-A1 Cinnoline derivatives as phosphodiesterase 10 inhibitors PDE7A, PDE10A, PDE7B POLB 921/4885HTT 2397/4885L3MBTL1 4681/4885
US-20070265256-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE7B, PDE10A POLB 758/4885HTT 1809/4885L3MBTL1 4590/4885

“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.