Sugi Predict

Sugi Predict / Compounds / SCHEMBL3105597

SCHEMBL3105597

SCHEMBL3105597

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 1/20 0.36
▸ CA2 P00918 5/20 0.35
▸ CA1 P00915 3/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ KDM4E B2RXH2 5/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ CYP3A4 P08684 3/20 0.33
▸ TP53 P04637 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ APAF1 O14727 1/20 0.33
▸ PTGS1 P23219 1/20 0.33

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
SCHEMBL3105610 0.87 ALDH1A1 (0.35) NSD2CA2CA1CA12CA9
SCHEMBL972851 0.84 S100B (0.47) KDM4EALDH1A1CYP3A4MAPK1TDP1
Sulfuric Acid SCHEMBL8535837 0.81 ALDH1A1 (0.49) CA2CA1KDM4EALDH1A1CYP3A4
SCHEMBL151204 0.81 APAF1 (0.37) NSD2CA2CA1CA12CA9
SCHEMBL151025 0.76 NSD2 (0.42) NSD2CA2CA1CA12CA9
SCHEMBL30612673 0.76 NSD2 (0.42) NSD2CA2CA1CA12CA9
SCHEMBL743428 0.76 NSD2 (0.42) NSD2CA2CA1CA12CA9
Sulfuric Acid SCHEMBL7805762 0.74 KDM4E (0.50) NSD2CA2CA1CA12CA9
SCHEMBL2739262 0.72 ALDH1A1 (0.59) KDM4EALDH1A1CYP3A4TP53ALOX15
SCHEMBL128462 0.72 NSD2 (0.36) NSD2CA2CA1CA12CA9

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 6 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-1219515-C In vivo stain compounds and methods of use to identify dysplastic tissue ZILA INC (US) 2005-09-21 — — 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 53/4885CA2 1188/4885CA1 2805/4885

“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.