SCHEMBL1102432

SCHEMBL1102432

CC(C)c1ccc2c(c1)N(C)c1ccccc1S2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.63
NOX1 Q9Y5S8 5/20 0.55
LMNA P02545 3/20 0.55
MAPT P10636 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MAPK1 P28482 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
HTR2C P28335 3/20 0.53
DRD3 P35462 3/20 0.53
HTR2B P41595 3/20 0.53
ADRA2A P08913 2/20 0.53
ADRA2B P18089 2/20 0.53
ADRA2C P18825 2/20 0.53
CHRM3 P20309 2/20 0.53
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
PTGS1 P23219 3/20 0.42
PTGS2 P35354 2/20 0.42

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
SCHEMBL2706164 0.88 NOX1 (0.46) MAOANOX1LMNAMAPTL3MBTL1
SCHEMBL8609171 0.87 MAOA (0.59) MAOANOX1LMNAMAPTL3MBTL1
SCHEMBL2756738 0.83 NOX1 (0.42) MAOANOX1LMNAMAPTL3MBTL1
SCHEMBL6850709 0.82 NOX1 (0.62) MAOANOX1LMNAMAPTL3MBTL1
SCHEMBL10618628 0.82 NOX1 (0.58) MAOANOX1LMNAMAPTL3MBTL1
SCHEMBL24457998 0.81 MAOA (0.51) MAOANOX1LMNAMAPTL3MBTL1
SCHEMBL23775819 0.80 NOX1 (0.47) MAOANOX1LMNAMAPTL3MBTL1
SCHEMBL231247 0.80 MAOA (1.00) MAOANOX1LMNAMAPTL3MBTL1
SCHEMBL29377505 0.80 MAOA (1.00) MAOANOX1LMNAMAPTL3MBTL1
SCHEMBL1102436 0.80 BCHE (0.42) MAOANOX1LMNAMAPTMAPK1

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222277-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX S.A. (FR) 2012-07-17 US disclosed
US-8222277-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX S.A. (FR) 2012-07-17 US disclosed
US-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-8088762-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX S.A. (FR) 2012-01-03 US disclosed
US-8088762-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX S.A. (FR) 2012-01-03 US disclosed
US-20110098253-A1 Nitrosated Nonsteroidal Antiinflammatory Compounds, Compositions and Methods of Use NICOX S.A. (IT) 2011-04-28 US disclosed
US-20110098253-A1 Nitrosated Nonsteroidal Antiinflammatory Compounds, Compositions and Methods of Use NICOX S.A. (IT) 2011-04-28 US disclosed
US-7906228-B2 Compounds for electronic material and organic electronic device using the same GRACEL DISPLAY INC. (KR) 2011-03-15 US disclosed
US-7888863-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2011-02-15 US disclosed
US-7883714-B2 (2R)-2,3-bis(nitrooxy)propyl(2S)-2(6-methoxy(2-naphthyl)propanoate, used for treating inflammation, pain and fever; gastrointestinal disorders; wound healing agents; preventing gastrointestinal, renal and/or respiratory toxicities; side effect reduction; kits NICOX S.A. (FR) 2011-02-08 US disclosed
US-20090288707-A1 Novel compounds for electronic material and organic electronic device using the same GRACEL DISPLAY INC. (KR) 2009-11-26 US disclosed
US-20090273278-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-11-05 US disclosed
US-20090260686-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-10-22 US disclosed
US-20090230852-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-09-17 US disclosed
US-20090170934-A1 MANUFACTURING PROCESS FOR NO-DONATING COMPOUNDS SUCH AS NO-DONATING DICLOFENAC NICOX SA 2009-07-02 US disclosed
US-20090096314-A1 ELECTRIC MOTOR HONDA MOTOR CO., LTD. (JP) 2009-04-16 US disclosed
US-20090096314-A1 ELECTRIC MOTOR HONDA MOTOR CO., LTD. (JP) 2009-04-16 US disclosed
US-20090048219-A1 ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC. (US) 2009-02-19 US disclosed
US-7163958-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NITROMED INC. (US) 2007-01-16 US disclosed
US-7163958-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NITROMED INC. (US) 2007-01-16 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 (7 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-20090260686-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, FZD7 MAOA 518/4885NOX1 48/4885LMNA 3061/4885
US-20090048219-A1 ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS3, NOS1, NOS2 MAOA 1219/4885NOX1 14/4885LMNA 4765/4885
US-20110098253-A1 Nitrosated Nonsteroidal Antiinflammatory Compounds, Compositions and Methods of Use NOS2, NOS1, NOS3 MAOA 686/4885NOX1 48/4885LMNA 2256/4885
US-20090230852-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OXER1, L1CAM, RPL41 MAOA 1764/4885NOX1 95/4885LMNA 1529/4885
US-20090273278-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, ORMDL3 MAOA 383/4885NOX1 211/4885LMNA 3600/4885
US-20090170934-A1 MANUFACTURING PROCESS FOR NO-DONATING COMPOUNDS SUCH AS NO-DONATING DICLOFENAC NOS2, NOS1, NOS3 MAOA 297/4885NOX1 573/4885LMNA 3562/4885
US-20090288707-A1 Novel compounds for electronic material and organic electronic device using the same OCIAD1, OCIAD2, ORMDL3 MAOA 831/4885NOX1 201/4885LMNA 4191/4885

“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.