SCHEMBL190887

SCHEMBL190887

CN(C)c1ccc(N)c(SS)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
ALOX15 P16050 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 4/20 0.39
APAF1 O14727 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TERT O14746 1/20 0.36
APP P05067 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HDAC1 Q13547 1/20 0.33
NPC1 O15118 2/20 0.32
S100B P04271 1/20 0.32
RAB9A P51151 1/20 0.32
CRHR1 P34998 1/20 0.32
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32

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
SCHEMBL127207 0.82 ALDH1A1 (0.43) ALDH1A1ALOX15CYP3A4MAPK1TDP1
SCHEMBL10333271 0.78 ALDH1A1 (0.40) ALDH1A1ALOX15CYP3A4MAPK1TDP1
SCHEMBL31361979 0.73 ALDH1A1 (0.52) ALDH1A1ALOX15CYP3A4MAPK1TDP1
SCHEMBL2313495 0.73 ALDH1A1 (0.52) ALDH1A1ALOX15CYP3A4MAPK1TDP1
SCHEMBL127303 0.73 ALDH1A1 (0.39) ALDH1A1ALOX15CYP3A4MAPK1TDP1
SCHEMBL743427 0.73 ALDH1A1 (0.39) ALDH1A1ALOX15CYP3A4MAPK1TDP1
SCHEMBL8071723 0.72 NPC1 (0.59) ALDH1A1ALOX15CYP3A4MAPK1TDP1
SCHEMBL31676683 0.72 ALDH1A1 (0.46) ALDH1A1ALOX15CYP3A4MAPK1TDP1
SCHEMBL1745275 0.72 ALDH1A1 (0.46) ALDH1A1ALOX15CYP3A4MAPK1TDP1
SCHEMBL22753827 0.71 NPC1 (0.44) ALDH1A1ALOX15CYP3A4MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7737138-B2 Methods of treatment of a tauopathy condition comprising the use of thioninium compounds WISTA LABORATORIES LTD. (SG) 2010-06-15 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 (5 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-20080207603-A1 Methods of Chemical Synthesis and Purification of Diaminophenothiazinium Compounds Including Methylthioninium Chloride (Mtc) MGMT, MAPT, CRBN ALDH1A1 3952/4885ALOX15 3995/4885CYP3A4 3501/4885
US-20090259040-A1 METHODS OF SYNTHESIS AND/OR PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS PARK7, SNCA, GRN ALDH1A1 2825/4885ALOX15 852/4885CYP3A4 3844/4885
US-20120058995-A1 METHODS OF CHEMICAL SYNTHESIS OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INVOLVING THE USE OF PERSULFATE OXIDANTS TST, TPMT, MGMT ALDH1A1 748/4885ALOX15 2129/4885CYP3A4 2052/4885
US-20110294795-A1 METHODS OF SYNTHESIS AND/OR PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS MMAB, MB, ABCB7 ALDH1A1 1615/4885ALOX15 2856/4885CYP3A4 1958/4885
US-20110021510-A1 METHODS OF CHEMICAL SYNTHESIS AND PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INCLUDING METHYLTHIONINIUM CHLORIDE (MTC) MGMT, TST, MAPT ALDH1A1 3694/4885ALOX15 1898/4885CYP3A4 3403/4885

“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.