SCHEMBL129138

SCHEMBL129138

CCCN(CCC)c1ccc2nc3ccc(N(CCC)CCC)cc3[s+]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 2/20 0.44
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
THRB P10828 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NLRP3 Q96P20 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 2/20 0.36
USP2 O75604 1/20 0.36
BLM P54132 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
AR P10275 1/20 0.35
PSMB5 P28074 1/20 0.34

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
Bromide SCHEMBL5791833 0.98 TERT (0.43) TERTNPC1RAB9AMAPTMEN1
SCHEMBL1470931 0.95 TERT (0.53) TERTNPC1RAB9AMAPTMEN1
SCHEMBL5724692 0.94 PSMB5 (0.43) TERTNPC1RAB9AMAPTMEN1
SCHEMBL1472495 0.94 TERT (0.40) TERTNPC1RAB9AMAPTMEN1
Iodide SCHEMBL1470324 0.94 TERT (0.51) TERTNPC1RAB9AMAPTMEN1
Iodide SCHEMBL1470298 0.92 TERT (0.39) TERTNPC1RAB9AMAPTMEN1
Iodide SCHEMBL1470285 0.92 PSMB5 (0.42) TERTNPC1RAB9AMAPTMEN1
SCHEMBL1472472 0.92 TERT (0.39) TERTNPC1RAB9AMAPTMEN1
SCHEMBL1470384 0.91 TERT (0.38) TERTNPC1RAB9AMAPTMEN1
Iodide SCHEMBL1471043 0.91 NPC1 (0.43) TERTNPC1RAB9AMAPTMEN1

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 600/4885NPC1 2397/4885RAB9A 2788/4885
US-20080207603-A1 Methods of Chemical Synthesis and Purification of Diaminophenothiazinium Compounds Including Methylthioninium Chloride (Mtc) MGMT, MAPT, CRBN TERT 10/4885NPC1 1785/4885RAB9A 1714/4885
US-20090259040-A1 METHODS OF SYNTHESIS AND/OR PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS PARK7, SNCA, GRN TERT 96/4885NPC1 1131/4885RAB9A 2529/4885
US-20170209456-A1 Methods of chemical synthesis and purification of diaminophenothiazinium compounds including methylthioninium chloride (MTC) MGMT, TST, MAPT TERT 7/4885NPC1 2621/4885RAB9A 3732/4885
US-20120058995-A1 METHODS OF CHEMICAL SYNTHESIS OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INVOLVING THE USE OF PERSULFATE OXIDANTS TST, TPMT, MGMT TERT 61/4885NPC1 4051/4885RAB9A 3655/4885
US-20110294795-A1 METHODS OF SYNTHESIS AND/OR PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS MMAB, MB, ABCB7 TERT 743/4885NPC1 1959/4885RAB9A 3116/4885
US-20110021510-A1 METHODS OF CHEMICAL SYNTHESIS AND PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INCLUDING METHYLTHIONINIUM CHLORIDE (MTC) MGMT, TST, MAPT TERT 11/4885NPC1 2426/4885RAB9A 4065/4885
US-20160296531-A1 METHODS OF SYNTHESIS AND/OR PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS MB, TPMT, HBB TERT 600/4885NPC1 2397/4885RAB9A 2788/4885

“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.