SCHEMBL3105615

SCHEMBL3105615

CN(C)c1ccc(N)c(SOS(=O)(=O)O)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.35
G6PD P11413 1/20 0.35
IDE P14735 1/20 0.35
HDAC1 Q13547 1/20 0.33
CA2 P00918 4/20 0.33
KDM4E B2RXH2 3/20 0.33
CA1 P00915 2/20 0.33
ALDH1A1 P00352 4/20 0.32
CYP3A4 P08684 2/20 0.32
ALOX15 P16050 2/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
APAF1 O14727 1/20 0.32
PTGS1 P23219 1/20 0.32
KMT2A Q03164 3/20 0.31
CA12 O43570 2/20 0.31
CA9 Q16790 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 2/20 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
SCHEMBL127303 0.80 ALDH1A1 (0.39) NSD2G6PDIDEHDAC1CA2
SCHEMBL743427 0.80 ALDH1A1 (0.39) NSD2G6PDIDEHDAC1CA2
Sulfuric Acid SCHEMBL7805762 0.73 KDM4E (0.50) NSD2HDAC1CA2KDM4ECA1
SCHEMBL127207 0.71 ALDH1A1 (0.43) G6PDIDEHDAC1KDM4EALDH1A1
SCHEMBL11551865 0.70 NSD2 (0.47) NSD2HDAC1CA2KDM4ECA1
Sulfuric Acid SCHEMBL8535837 0.70 ALDH1A1 (0.49) CA2KDM4ECA1ALDH1A1CYP3A4
SCHEMBL190887 0.70 ALDH1A1 (0.41) G6PDIDEHDAC1KDM4EALDH1A1
SCHEMBL743428 0.68 NSD2 (0.42) NSD2HDAC1CA2KDM4ECA1
SCHEMBL151025 0.68 NSD2 (0.42) NSD2HDAC1CA2KDM4ECA1
SCHEMBL30612673 0.68 NSD2 (0.42) NSD2HDAC1CA2KDM4ECA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117447421-A Synthesis method of 3, 7-bis- (dimethylamino) -phenothiazine 上海沃凯生物技术有限公司 2024-01-26 CN disclosed
WO-2010118050-A1 USE OF IMPROVED TOLUIDINE BLUE IN PHOTODYNAMIC THERAPY ZILA, INC. (US) 2010-10-14 WO disclosed
US-20100256125-A1 USE OF IMPROVED TOLUIDINE BLUE IN PHOTODYNAMIC THERAPY ZILA PHARMACEUTICALS, INC. (US) 2010-10-07 US disclosed
CN-1302815-C Toluidine blue O drug substance and use thereof for in VIVO Staining and chemo therapeutic treatment of dysplastic tissues ZILA BIOTECH INC (US) 2007-03-07 CN disclosed
CN-1627961-A Toluidine blue O drug substance and use thereof for in VIVO Staining and chemo therapeutic treatment of dysplastic tissues ZILA BIOTECH INC (US) 2005-06-15 CN 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-20100256125-A1 USE OF IMPROVED TOLUIDINE BLUE IN PHOTODYNAMIC THERAPY TET1, KDM2B, KDM5B NSD2 53/4885G6PD 84/4885IDE 4509/4885

“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.