SCHEMBL128462

SCHEMBL128462

CN(C)c1ccc(N)c(S(=O)(=S)OO)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.36
APAF1 O14727 1/20 0.36
HTR6 P50406 2/20 0.34
CA2 P00918 5/20 0.33
ALDH1A1 P00352 3/20 0.33
CA1 P00915 2/20 0.33
ALOX15 P16050 2/20 0.33
TERT O14746 1/20 0.33
APP P05067 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC1 Q13547 1/20 0.33
PTGS1 P23219 1/20 0.33
CDC25B P30305 1/20 0.33
CA12 O43570 2/20 0.32
CA9 Q16790 2/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL127321 0.85 ADRA2A (0.35) RAB9A
SCHEMBL128645 0.84 S100B (0.47) ALDH1A1ALOX15TERTCYP3A4MAPK1
SCHEMBL743428 0.82 NSD2 (0.42) NSD2APAF1HTR6CA2ALDH1A1
SCHEMBL30612673 0.82 NSD2 (0.42) NSD2APAF1HTR6CA2ALDH1A1
SCHEMBL151025 0.82 NSD2 (0.42) NSD2APAF1HTR6CA2ALDH1A1
SCHEMBL128649 0.80 PTPN1 (0.30) RAB9A
SCHEMBL11551865 0.78 NSD2 (0.47) NSD2APAF1HTR6CA2ALDH1A1
SCHEMBL2061685 0.75 ALDH1A1 (0.51) NSD2APAF1HTR6CA2ALDH1A1
SCHEMBL2430788 0.75 ALDH1A1 (0.39) NSD2APAF1HTR6CA2ALDH1A1
SCHEMBL3105597 0.72 NSD2 (0.36) NSD2APAF1CA2ALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8691979-B2 Methods of chemical synthesis of diaminophenothiazinium compounds involving the use of persulfate oxidants WISTA LABORATORIES LTD. (SG) 2014-04-08 US disclosed
US-20120058995-A1 METHODS OF CHEMICAL SYNTHESIS OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INVOLVING THE USE OF PERSULFATE OXIDANTS WISTA LABORATORIES LTD. (SG) 2012-03-08 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-20120058995-A1 METHODS OF CHEMICAL SYNTHESIS OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INVOLVING THE USE OF PERSULFATE OXIDANTS TST, TPMT, MGMT NSD2 2231/4885APAF1 1600/4885HTR6 597/4885

“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.