SCHEMBL4380249

SCHEMBL4380249

C[SiH](C)OC(c1cccc(CN)c1)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.36
ENPP2 Q13822 1/20 0.36
LOXL2 Q9Y4K0 3/20 0.36
NOS1 P29475 5/20 0.34
NOS2 P35228 5/20 0.34
NOS3 P29474 3/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP3A4 P08684 1/20 0.33
NFKB1 P19838 1/20 0.33
ADRA1D P25100 1/20 0.32
MAOB P27338 2/20 0.31
PRMT6 Q96LA8 1/20 0.31
PLG P00747 1/20 0.31
PLAU P00749 1/20 0.31
PLAT P00750 1/20 0.31
KIF11 P52732 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL4502129 0.85 TAAR1 (0.45) PNMTSLC6A2SLC6A4SLC6A3
SCHEMBL5202527 0.85 ENPP2 (0.34) ENPP2SMN1; SMN2CYP3A4SLC6A2SLC6A4
SCHEMBL4491403 0.81 HTR2A (0.33) PNMTNOS1NOS2
SCHEMBL2852048 0.80 CYP1A2 (0.45) ALDH1A1NFKB1
SCHEMBL6011785 0.80 PTGDR2 (0.31)
SCHEMBL631423 0.80 CYP3A4 (0.35) ALDH1A1CYP3A4MAOBSLC6A2SLC6A4
SCHEMBL7310726 0.76 IDO1 (0.39) ALDH1A1CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL840464 0.76 ADRB1 (0.45) ALDH1A1CYP3A4NFKB1SLC6A3
SCHEMBL8890743 0.76
SCHEMBL9468870 0.75 PLA2G4B (0.36)

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
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
EP-1490064-B1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORP (US) 2009-11-18 EP disclosed
EP-1304324-B1 SEROTONIN REUPTAKE INHIBITORS DAINIPPON SUMITOMO PHARMA CO (JP) 2007-10-03 EP disclosed
US-7067540-B2 Substituted pyridinones PHARMACIA CORPORATION (US) 2006-06-27 US disclosed
US-20050176775-A1 Substituted pyridinones PHARMACIA CORPORATION 2005-08-11 US disclosed
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed
EP-1490064-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE Pharmacia Corporation (US) 2004-12-29 EP disclosed
US-6787560-B2 PSYCHOLOGICAL DISORDERS; ANTIDEPRESSANTS SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2004-09-07 US disclosed
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 US disclosed
US-20030191126-A1 Psychological disorders; antidepressants SUMITOMO PHARMACEUTICALS COMPANY LIMITED 2003-10-09 US disclosed
WO-2003068230-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORPORATION (US) 2003-08-21 WO disclosed
EP-1304324-A1 SEROTONIN REUPTAKE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-04-23 EP 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-20030191126-A1 Psychological disorders; antidepressants CRH, HTR2C, HTR1A PNMT 52/4885ENPP2 1377/4885LOXL2 2049/4885
US-20040058964-A1 Substituted pyridinones MAPK1, MAPK6, MAPK7 PNMT 2994/4885ENPP2 1501/4885LOXL2 2139/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 PNMT 2474/4885ENPP2 1034/4885LOXL2 2273/4885

“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.