SCHEMBL629086

SCHEMBL629086

CCc1ccc2c(c1)N(C)c1ccccc1S2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.63
NOX1 Q9Y5S8 5/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
CYP2D6 P10635 2/20 0.54
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
HTR2C P28335 2/20 0.53
SLC6A4 P31645 2/20 0.53
DRD3 P35462 2/20 0.53
HTR2B P41595 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
PABPC1 P11940 1/20 0.43

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
SCHEMBL13888145 0.90 MAOA (0.63) MAOANOX1L3MBTL1LMNAMAPT
SCHEMBL2659087 0.83 MAOA (0.58) MAOANOX1L3MBTL1LMNAMAPT
SCHEMBL11258846 0.81 MAOA (0.56) MAOANOX1L3MBTL1LMNAMAPT
SCHEMBL19071936 0.80 NOX1 (0.47) MAOANOX1L3MBTL1LMNAMAPT
Metiazinic Acid SCHEMBL150554 0.80 LMNA (0.59) MAOANOX1L3MBTL1LMNAMAPT
Metiazinic Acid SCHEMBL30190433 0.80 LMNA (0.59) MAOANOX1L3MBTL1LMNAMAPT
Metiazinic Acid SCHEMBL30697757 0.80 LMNA (0.59) MAOANOX1L3MBTL1LMNAMAPT
Metiazinic Acid SCHEMBL10820947 0.80 LMNA (0.59) MAOANOX1L3MBTL1LMNAMAPT
SCHEMBL2669592 0.80 MAOA (0.54) MAOANOX1L3MBTL1LMNAMAPT
SCHEMBL231247 0.80 MAOA (1.00) MAOANOX1L3MBTL1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1883987-A1 SUBSTITUTED PHENOTHIAZINE REDOX SHUTTLES FOR RECHARGEABLE LITHIUM-ION CELL 3M Innovative Properties Company (US) 2008-02-06 EP claimed
WO-2006124738-A1 SUBSTITUTED PHENOTHIAZINE REDOX SHUTTLES FOR RECHARGEABLE LITHIUM-ION CELL 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-11-23 WO claimed
US-20060263697-A1 Substituted phenothiazine redox shuttles for rechargeable lithium-ion cell 3M INNOVATIVE PROPERTIES COMPANY 2006-11-23 US claimed
US-8304409-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX S.A. (FR) 2012-11-06 US disclosed
EP-1883987-B1 SUBSTITUTED PHENOTHIAZINE REDOX SHUTTLES FOR RECHARGEABLE LITHIUM-ION CELL 3M INNOVATIVE PROPERTIES CO (US) 2012-02-22 EP disclosed
US-20100093671-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NICOX SA (FR) 2010-04-15 US disclosed
US-7615312-B2 Electrolytic cells; phenothiazine compound has oxidation potential above positive electrode recharged potential and serves as cyclable redox chemical shuttle providing cell overcharge protection 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-11-10 US disclosed
EP-1883987-A1 SUBSTITUTED PHENOTHIAZINE REDOX SHUTTLES FOR RECHARGEABLE LITHIUM-ION CELL 3M Innovative Properties Company (US) 2008-02-06 EP disclosed
WO-2006124738-A1 SUBSTITUTED PHENOTHIAZINE REDOX SHUTTLES FOR RECHARGEABLE LITHIUM-ION CELL 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-11-23 WO disclosed
US-20060263697-A1 Substituted phenothiazine redox shuttles for rechargeable lithium-ion cell 3M INNOVATIVE PROPERTIES COMPANY 2006-11-23 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 (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-20100093671-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS2, NOS1, NOS3 MAOA 990/4885NOX1 37/4885L3MBTL1 4657/4885

“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.