SCHEMBL128425

SCHEMBL128425

CCN(C)c1ccc2nc3ccc(N(C)CC)cc3[s+]c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 2/20 0.42
APP P05067 1/20 0.37
IGLV6-57 P01721 1/20 0.36
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
PSMB5 P28074 1/20 0.35
NTSR1 P30989 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
NLRP3 Q96P20 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ELANE P08246 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
SCHEMBL12532442 0.94 TERT (0.53) TERTNPC1RAB9ANLRP3L3MBTL1
SCHEMBL129345 0.86 TRPV1 (0.37) TERTAPPPSMB5NTSR1NPC1
SCHEMBL129370 0.84 TERT (0.61) TERTNPC1RAB9ANLRP3L3MBTL1
Methylene Blue Cation SCHEMBL29941578 0.81 APP (0.57) TERTAPPPSMB5MEN1POLB
Methylene Blue Cation SCHEMBL109755 0.81 APP (0.57) TERTAPPPSMB5MEN1POLB
Methylene Blue Cation SCHEMBL128584 0.81 APP (0.57) TERTAPPPSMB5MEN1POLB
Methylene Blue Cation SCHEMBL12312498 0.81 APP (0.57) TERTAPPPSMB5MEN1POLB
Methylene Blue Cation SCHEMBL12312491 0.81 APP (0.57) TERTAPPPSMB5MEN1POLB
Methylene Blue Cation SCHEMBL12312497 0.81 APP (0.57) TERTAPPPSMB5MEN1POLB
Hydrochloric Acid SCHEMBL971391 0.81 TERT (0.58) TERTNPC1RAB9ANLRP3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170273986-A1 METHODS OF SYNTHESIS AND/OR PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS WISTA LABORATORIES LTD. (SG) 2017-09-28 US disclosed
US-20170273986-A1 METHODS OF SYNTHESIS AND/OR PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS WISTA LABORATORIES LTD. (SG) 2017-09-28 US disclosed
US-9765042-B2 Methods of chemical synthesis of diaminophenothiazinium compounds including methylthioninium chloride (MTC) WISTA LABORATORIES LTD. (SG) 2017-09-19 US disclosed
US-9765042-B2 Methods of chemical synthesis of diaminophenothiazinium compounds including methylthioninium chloride (MTC) WISTA LABORATORIES LTD. (SG) 2017-09-19 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-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-9675621-B2 Methods of synthesis and/or purification of diaminophenothiazinium compounds WISTA LABORATORIES LTD. (SG) 2017-06-13 US disclosed
US-9555043-B2 High purity diaminophenothiazinium compounds including methylthioninium chloride (MTC) WISTA LABORATORIES LTD. (SG) 2017-01-31 US disclosed
US-9555043-B2 High purity diaminophenothiazinium compounds including methylthioninium chloride (MTC) WISTA LABORATORIES LTD. (SG) 2017-01-31 US disclosed
US-20160296531-A1 METHODS OF SYNTHESIS AND/OR PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS WISTA LABORATORIES LTD. (SG) 2016-10-13 US disclosed
US-9242946-B2 High purity diaminophenothiazinium compounds including methylthioninium chloride (MTC) WISTA LABORATORIES LTD. (SG) 2016-01-26 US disclosed
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-8440821-B2 Methods of synthesis and/or purification of diaminophenothiazinium compounds WISTA LABORATORIES LTD. (SG) 2013-05-14 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
US-20110294795-A1 METHODS OF SYNTHESIS AND/OR PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS WISTA LABORATORIES LTD. 2011-12-01 US disclosed
US-7956183-B2 Methods of synthesis and/or purification of diaminophenothiazinium compounds WISTA LABORATORIES LTD. (SG) 2011-06-07 US 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-20090259040-A1 METHODS OF SYNTHESIS AND/OR PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS WISTA LABORATORIES LTD. (SG) 2009-10-15 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20170273986-A1 METHODS OF SYNTHESIS AND/OR PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS MB, TPMT, HBB TERT 600/4885APP 237/4885IGLV6-57 227/4885
US-20080207603-A1 Methods of Chemical Synthesis and Purification of Diaminophenothiazinium Compounds Including Methylthioninium Chloride (Mtc) MGMT, MAPT, CRBN TERT 10/4885APP 102/4885IGLV6-57 3064/4885
US-20090259040-A1 METHODS OF SYNTHESIS AND/OR PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS PARK7, SNCA, GRN TERT 96/4885APP 212/4885IGLV6-57 2862/4885
US-20170209456-A1 Methods of chemical synthesis and purification of diaminophenothiazinium compounds including methylthioninium chloride (MTC) MGMT, TST, MAPT TERT 7/4885APP 170/4885IGLV6-57 2154/4885
US-20120058995-A1 METHODS OF CHEMICAL SYNTHESIS OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INVOLVING THE USE OF PERSULFATE OXIDANTS TST, TPMT, MGMT TERT 61/4885APP 18/4885IGLV6-57 2306/4885
US-20110294795-A1 METHODS OF SYNTHESIS AND/OR PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS MMAB, MB, ABCB7 TERT 743/4885APP 3144/4885IGLV6-57 1868/4885
US-20110021510-A1 METHODS OF CHEMICAL SYNTHESIS AND PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INCLUDING METHYLTHIONINIUM CHLORIDE (MTC) MGMT, TST, MAPT TERT 11/4885APP 110/4885IGLV6-57 2080/4885
US-20160296531-A1 METHODS OF SYNTHESIS AND/OR PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS MB, TPMT, HBB TERT 600/4885APP 237/4885IGLV6-57 227/4885

“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.