SCHEMBL972851

SCHEMBL972851

CCN(CC)c1ccc(N)c(OS(=O)(O)=S)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.47
ALDH1A1 P00352 14/20 0.41
L3MBTL1 Q9Y468 8/20 0.41
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
HPGD P15428 6/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2C9 P11712 2/20 0.41
HSP90AA1 P07900 1/20 0.41
MAPT P10636 9/20 0.39
CYP3A4 P08684 4/20 0.39
MAPK1 P28482 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
GFER P55789 2/20 0.39
PSMD14 O00487 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
ATM Q13315 4/20 0.37
GLA P06280 4/20 0.37
HIF1A Q16665 2/20 0.37

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
SCHEMBL31265588 0.84 S100B (0.46) S100BALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL31265585 0.84 S100B (0.46) S100BALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3105597 0.84 NSD2 (0.36) ALDH1A1L3MBTL1MEN1KMT2AHPGD
SCHEMBL150569 0.82 S100B (0.50) S100BALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL150568 0.78 S100B (0.51) S100BALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL8014237 0.75 S100B (0.59) S100BALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL128645 0.74 S100B (0.47) S100BALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL10346490 0.74 S100B (0.54) S100BALDH1A1L3MBTL1MEN1KMT2A
Sulfuric Acid SCHEMBL7955346 0.74 S100B (0.80) S100BALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL8943409 0.74 ALDH1A1 (0.48) S100BALDH1A1L3MBTL1MEN1KMT2A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11116772-B2 Medical methods utilising high purity diaminophenothiazinium compounds WISTA LABORATORIES LTD. (SG) 2021-09-14 US disclosed
US-20200268767-A1 MEDICAL METHODS UTILISING HIGH PURITY DIAMINOPHENOTHIAZINIUM COMPOUNDS WISTA LABORATORIES LIMITED (SG) 2020-08-27 US disclosed
EP-3564223-A1 METHODS OF CHEMICAL SYNTHESIS AND PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INCLUDING METHYLTHIONINIUM CHLORIDE (MTC) WisTa Laboratories Ltd. (SG) 2019-11-06 EP disclosed
EP-2322517-B1 METHODS OF CHEMICAL SYNTHESIS AND PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INCLUDING METHYLTHIONINIUM CHLORIDE (MTC) WISTA LAB LTD (SG) 2019-04-24 EP disclosed
US-20180078562-A1 MEDICAL METHODS UTILISING HIGH PURITY DIAMINOPHENOTHIAZINIUM COMPOUNDS WISTA LABORATORIES LTD. (SG) 2018-03-22 US disclosed
US-9801890-B2 Medical methods utilising high purity diaminophenothiazinium compounds WISTA LABORATORIES LTD. (SG) 2017-10-31 US disclosed
US-20170209456-A1 Methods of chemical synthesis and purification of diaminophenothiazinium compounds including methylthioninium chloride (MTC) WISTA LABORATORIES LTD. (SG) 2017-07-27 US disclosed
US-9555043-B2 High purity diaminophenothiazinium compounds including methylthioninium chloride (MTC) WISTA LABORATORIES LTD. (SG) 2017-01-31 US disclosed
US-20160129009-A1 HIGH PURITY DIAMINOPHENOTHIAZINIUM COMPOUNDS INCLUDING METHYLTHIONINIUM CHLORIDE (MTC) WISTA LABORATORIES LTD. (SG) 2016-05-12 US disclosed
US-9242946-B2 High purity diaminophenothiazinium compounds including methylthioninium chloride (MTC) WISTA LABORATORIES LTD. (SG) 2016-01-26 US disclosed
CN-103012315-A Chemical synthesis and purification of diaminophenothiazinium compounds including methylene blue (MTC) WISTA LAB LTD 2013-04-03 CN disclosed
CN-101084204-B Chemical synthesis and purification of diaminophenothiazinium compounds including methylene blue (MTC) WISTA LAB LTD 2012-12-05 CN disclosed
EP-2322517-A1 Methods of chemical synthesis and purification of diaminophenothiazinium compounds including methylthioninium chloride (MTC) Wista Laboratories Ltd. (SG) 2011-05-18 EP disclosed
US-20110021510-A1 METHODS OF CHEMICAL SYNTHESIS AND PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INCLUDING METHYLTHIONINIUM CHLORIDE (MTC) WISTA LABORATORIES LTD. 2011-01-27 US disclosed
US-7790881-B2 Methods of chemical synthesis and purification of diaminophenothiazinium compounds including methylthioninium chloride (MTC) WISTA LABORATORIES LTD. (SG) 2010-09-07 US disclosed
US-20080207603-A1 Methods of Chemical Synthesis and Purification of Diaminophenothiazinium Compounds Including Methylthioninium Chloride (Mtc) WISTA LABORATORIES LTD. 2008-08-28 US disclosed
CN-101084204-A Methods for chemical synthesis and purification of diaminophenothiazinium compounds, including methylthioninium chloride (MTC) WISTA LAB LTD (SG) 2007-12-05 CN disclosed
EP-1799662-A2 METHODS OF CHEMICAL SYNTHESIS AND PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INCLUDING METHYLTHIONINIUM CHLORIDE (MTC) Wista Laboratories Ltd. (SG) 2007-06-27 EP disclosed
WO-2006032879-A2 METHODS OF CHEMICAL SYNTHESIS AND PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INCLUDING METHYLTHIONINIUM CHLORIDE (MTC) WISTA LABORATORIES LTD. (SG) 2006-03-30 WO disclosed
US-4962197-A Photo-inactivation of cancer cells ROWLAND INSTITUTE FOR SCIENCE (US) 1990-10-09 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 (7 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-11116772-B2 Medical methods utilising high purity diaminophenothiazinium compounds MGMT, MAPT, TST S100B 67/4885ALDH1A1 3409/4885L3MBTL1 3969/4885
US-20160129009-A1 HIGH PURITY DIAMINOPHENOTHIAZINIUM COMPOUNDS INCLUDING METHYLTHIONINIUM CHLORIDE (MTC) MGMT, TST, MAPT S100B 193/4885ALDH1A1 3982/4885L3MBTL1 3620/4885
US-20080207603-A1 Methods of Chemical Synthesis and Purification of Diaminophenothiazinium Compounds Including Methylthioninium Chloride (Mtc) MGMT, MAPT, CRBN S100B 64/4885ALDH1A1 3952/4885L3MBTL1 1757/4885
US-20170209456-A1 Methods of chemical synthesis and purification of diaminophenothiazinium compounds including methylthioninium chloride (MTC) MGMT, TST, MAPT S100B 176/4885ALDH1A1 3846/4885L3MBTL1 3626/4885
US-20180078562-A1 MEDICAL METHODS UTILISING HIGH PURITY DIAMINOPHENOTHIAZINIUM COMPOUNDS MGMT, MAPT, TST S100B 77/4885ALDH1A1 3735/4885L3MBTL1 4142/4885
US-20110021510-A1 METHODS OF CHEMICAL SYNTHESIS AND PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INCLUDING METHYLTHIONINIUM CHLORIDE (MTC) MGMT, TST, MAPT S100B 180/4885ALDH1A1 3694/4885L3MBTL1 3662/4885
US-20200268767-A1 MEDICAL METHODS UTILISING HIGH PURITY DIAMINOPHENOTHIAZINIUM COMPOUNDS MGMT, MAPT, TST S100B 77/4885ALDH1A1 3735/4885L3MBTL1 4142/4885

“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.