SCHEMBL3474313

SCHEMBL3474313

Cc1cc(N(C)C)cc(SS(=O)(=O)O)c1N

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 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
SCHEMBL3971008 0.83 ALDH1A1 (0.50) MEN1ALDH1A1HSP90AA1CYP2C9HPGD
SCHEMBL3477837 0.81 MEN1 (0.37) MEN1ALDH1A1HSP90AA1CYP2C9HPGD
SCHEMBL743427 0.77 ALDH1A1 (0.39) MEN1ALDH1A1HSP90AA1CYP2C9HPGD
SCHEMBL127303 0.77 ALDH1A1 (0.39) MEN1ALDH1A1HSP90AA1CYP2C9HPGD
SCHEMBL11888084 0.74 KDM1A (0.38) MEN1ALDH1A1HPGDKMT2AL3MBTL1
SCHEMBL3474315 0.73 KDM4E (0.35) ALDH1A1MAPT
SCHEMBL9638465 0.73 ALDH1A1 (0.52) MEN1ALDH1A1HPGDKMT2AMAPT
SCHEMBL17928551 0.66 ALDH1A1 (0.46) ALDH1A1HPGDMAPT
SCHEMBL21102735 0.65 ALDH3A1 (0.43) MEN1ALDH1A1HSP90AA1CYP2C9HPGD
SCHEMBL24462884 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430007-B1 METHODS OF CHEMICAL SYNTHESIS OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INVOLVING THE USE OF PERSULFATE OXIDANTS WISTA LAB LTD (SG) 2014-02-12 EP disclosed
US-8227459-B2 Diamino-phenothiazinyl derivatives as antiviral treatments PROSETTA ANTIVIRAL INC. (US) 2012-07-24 US disclosed
US-8227459-B2 Diamino-phenothiazinyl derivatives as antiviral treatments PROSETTA ANTIVIRAL INC. (US) 2012-07-24 US disclosed
US-20110178071-A1 Antiviral Treatments PROSETTA CORPORATION 2011-07-21 US disclosed
US-20110178071-A1 Antiviral Treatments PROSETTA CORPORATION 2011-07-21 US disclosed
WO-2010130977-A1 METHODS OF CHEMICAL SYNTHESIS OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INVOLVING THE USE OF PERSULFATE OXIDANTS WISTA LABORATORIES LTD. (SG) 2010-11-18 WO disclosed
WO-2009047534-A2 FUSED PHENOTHIAZINIUM COMPOUNDS, PREPARATION METHOD THEREOF AND USE AS PHOTOANTIMICROBIALS PHARMALUCIA LTD (GB) 2009-04-16 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 (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-20110178071-A1 Antiviral Treatments HAVCR2, MAVS, EIF2AK2 MEN1 4500/4885ALDH1A1 984/4885HSP90AA1 640/4885

“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.