SCHEMBL8226390

SCHEMBL8226390

CC(=O)N1c2ccc([N+](=O)[O-])cc2[S+]([O-])c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 3/20 0.56
▸ MAPT P10636 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ LMNA P02545 1/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CASP1 P29466 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ CASP4 P49662 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ CASP9 P55211 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ APAF1 O14727 1/20 0.39
▸ CACNA1B Q00975 1/20 0.39
▸ APBA1 Q02410 1/20 0.39
▸ MCL1 Q07820 1/20 0.39

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
SCHEMBL10850497 0.80 SNCA (0.57) SNCAMAPTKDM4ELMNASMN1; SMN2
SCHEMBL30811554 0.80 SNCA (0.57) SNCAMAPTKDM4ELMNASMN1; SMN2
SCHEMBL29850622 0.77 SNCA (0.86) SNCAMAPTKDM4ELMNASMN1; SMN2
SCHEMBL1208152 0.77 SNCA (0.86) SNCAMAPTKDM4ELMNASMN1; SMN2
SCHEMBL10933322 0.77 LMNA (0.45) SNCAMAPTKDM4ELMNASMN1; SMN2
SCHEMBL19032766 0.72 CASP1 (0.64) SNCAMAPTKDM4ELMNACASP1
SCHEMBL4301111 0.71 LMNA (0.43) SNCAMAPTLMNASMN1; SMN2MAPK1
SCHEMBL14445734 0.71 SNCA (0.42) SNCAMAPTLMNASMN1; SMN2MAPK1
SCHEMBL19398391 0.71 SNCA (0.76) SNCAMAPTKDM4ELMNASMN1; SMN2
SCHEMBL21752000 0.71 SNCA (1.00) SNCAMAPTKDM4ELMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9980971-B2 Methods of synthesis and/or purification of diaminophenothiazinium compounds WISTA LABORATORIES LTD. (SG) 2018-05-29 — — US disclosed
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-9675621-B2 Methods of synthesis and/or purification of diaminophenothiazinium compounds WISTA LABORATORIES LTD. (SG) 2017-06-13 — — US disclosed
US-9675621-B2 Methods of synthesis and/or purification of diaminophenothiazinium compounds WISTA LABORATORIES LTD. (SG) 2017-06-13 — — US disclosed
EP-3121169-A1 METHODS OF SYNTHESIS AND/OR PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS WisTa Laboratories Ltd. (SG) 2017-01-25 — — EP disclosed
US-20160296531-A1 METHODS OF SYNTHESIS AND/OR PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS WISTA LABORATORIES LTD. (SG) 2016-10-13 — — US disclosed
US-20160296531-A1 METHODS OF SYNTHESIS AND/OR PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS WISTA LABORATORIES LTD. (SG) 2016-10-13 — — US disclosed
EP-2457905-B1 Methods of synthesis and/or purification of diaminophenothiazinium compounds WISTA LAB LTD (SG) 2016-08-17 — — EP disclosed
US-9382220-B2 Methods of synthesis and/or purification of diaminophenothiazinium compounds WISTA LABORATORIES LTD. (SG) 2016-07-05 — — US disclosed
US-9382220-B2 Methods of synthesis and/or purification of diaminophenothiazinium compounds WISTA LABORATORIES LTD. (SG) 2016-07-05 — — US disclosed
EP-2457904-B1 Methods of synthesis and/or purification of diaminophenothiazinium compounds WISTA LAB LTD (SG) 2014-11-19 — — EP disclosed
EP-2057136-B1 METHODS OF SYNTHESIS AND/OR PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS WISTA LAB LTD (SG) 2013-05-22 — — EP disclosed
US-8440821-B2 Methods of synthesis and/or purification of diaminophenothiazinium compounds WISTA LABORATORIES LTD. (SG) 2013-05-14 — — US disclosed
US-8440821-B2 Methods of synthesis and/or purification of diaminophenothiazinium compounds WISTA LABORATORIES LTD. (SG) 2013-05-14 — — US disclosed
EP-2457904-A1 Methods of synthesis and/or purification of diaminophenothiazinium compounds Wista Laboratories Ltd. (SG) 2012-05-30 — — EP disclosed
EP-2457905-A1 Methods of synthesis and/or purification of diaminophenothiazinium compounds Wista Laboratories Ltd. (SG) 2012-05-30 — — EP disclosed
US-7956183-B2 Methods of synthesis and/or purification of diaminophenothiazinium compounds WISTA LABORATORIES LTD. (SG) 2011-06-07 — — US disclosed
US-20090259040-A1 METHODS OF SYNTHESIS AND/OR PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS WISTA LABORATORIES LTD. (SG) 2009-10-15 — — US disclosed
WO-2008007074-A2 METHODS OF SYNTHESIS AND/OR PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS WISTA LABORATORIES LTD. (SG) 2008-01-17 — — WO 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 (3 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 SNCA 173/4885MAPT 7/4885KDM4E 1825/4885
US-20090259040-A1 METHODS OF SYNTHESIS AND/OR PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS PARK7, SNCA, GRN SNCA 2/4885MAPT 4/4885KDM4E 3439/4885
US-20160296531-A1 METHODS OF SYNTHESIS AND/OR PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS MB, TPMT, HBB SNCA 173/4885MAPT 7/4885KDM4E 1825/4885

“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.

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