SCHEMBL127313

SCHEMBL127313

CCc1cc(N(C)C)ccc1N=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.45
HSD17B10 Q99714 4/20 0.45
TSHR P16473 3/20 0.45
MAPK1 P28482 3/20 0.45
TP53 P04637 2/20 0.45
HIF1A Q16665 1/20 0.45
PSMB5 P28074 1/20 0.44
ALOX15 P16050 3/20 0.37
TERT O14746 1/20 0.35
APP P05067 1/20 0.35
KDM4E B2RXH2 4/20 0.35
TDP1 Q9NUW8 2/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 5/20 0.34
HPGD P15428 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
KCNH2 Q12809 2/20 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
SCHEMBL8235134 0.83 TERT (0.43) ALDH1A1HSD17B10TSHRMAPK1HIF1A
SCHEMBL145777 0.76 ALDH1A1 (0.48) ALDH1A1HSD17B10TSHRMAPK1TP53
SCHEMBL23671581 0.75 ALDH1A1 (0.40) ALDH1A1HSD17B10TSHRMAPK1TP53
SCHEMBL29914719 0.74 KCNH2 (0.50) ALDH1A1HSD17B10TSHRMAPK1TP53
SCHEMBL144585 0.74 ALDH1A1 (0.47) ALDH1A1HSD17B10TSHRMAPK1TP53
SCHEMBL90533 0.74 KCNH2 (0.50) ALDH1A1HSD17B10TSHRMAPK1TP53
SCHEMBL13958063 0.74 MAPT (0.37) ALDH1A1HSD17B10KDM4ECYP3A4MAPT
SCHEMBL13366127 0.74 PSMB5 (0.47) ALDH1A1HSD17B10TSHRMAPK1TP53
Hydrochloric Acid SCHEMBL104308 0.73 KCNH2 (0.51) ALDH1A1HSD17B10TSHRMAPK1TP53
SCHEMBL3856198 0.73 KCNH2 (0.49) ALDH1A1HSD17B10TSHRMAPK1TP53

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 57 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-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
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-20180078562-A1 MEDICAL METHODS UTILISING HIGH PURITY DIAMINOPHENOTHIAZINIUM COMPOUNDS WISTA LABORATORIES LTD. (SG) 2018-03-22 US disclosed
US-20180078562-A1 MEDICAL METHODS UTILISING HIGH PURITY DIAMINOPHENOTHIAZINIUM COMPOUNDS WISTA LABORATORIES LTD. (SG) 2018-03-22 US disclosed
EP-2853293-B1 Thioninium compounds and their use WISTA LAB LTD (SG) 2017-11-22 EP disclosed
US-20090209526-A1 INHIBITORS OF PROTEIN AGGREGATION WISTA LABORATORIES LTD 2009-08-20 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
US-20080207603-A1 Methods of Chemical Synthesis and Purification of Diaminophenothiazinium Compounds Including Methylthioninium Chloride (Mtc) WISTA LABORATORIES LTD. 2008-08-28 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
WO-2007110629-A1 INHIBITORS OF PROTEIN AGGREGATION WISTA LABORATORIES LTD (SG) 2007-10-04 WO disclosed
WO-2007110630-A1 THIONINIUM COMPOUNDS AND THEIR USE WISTA LABORATORIES LTD. (SG) 2007-10-04 WO 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
US-20060287523-A1 Methods of chemical synthesis and purification of diaminophenothiazinium compounds including methylthioninium chloride (MTC) WISTA LABORATORIES LTD. (SG) 2006-12-21 US 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
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

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

For each of this compound's patents that has machine-readable text (6 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 ALDH1A1 3409/4885HSD17B10 4790/4885TSHR 1274/4885
US-20090209526-A1 INHIBITORS OF PROTEIN AGGREGATION SNCA, PARK7, HTT ALDH1A1 3469/4885HSD17B10 4411/4885TSHR 3677/4885
US-20080207603-A1 Methods of Chemical Synthesis and Purification of Diaminophenothiazinium Compounds Including Methylthioninium Chloride (Mtc) MGMT, MAPT, CRBN ALDH1A1 3952/4885HSD17B10 4612/4885TSHR 841/4885
US-20060287523-A1 Methods of chemical synthesis and purification of diaminophenothiazinium compounds including methylthioninium chloride (MTC) MGMT, MAPT, TST ALDH1A1 3877/4885HSD17B10 4612/4885TSHR 1397/4885
US-20180078562-A1 MEDICAL METHODS UTILISING HIGH PURITY DIAMINOPHENOTHIAZINIUM COMPOUNDS MGMT, MAPT, TST ALDH1A1 3735/4885HSD17B10 4780/4885TSHR 1506/4885
US-20200268767-A1 MEDICAL METHODS UTILISING HIGH PURITY DIAMINOPHENOTHIAZINIUM COMPOUNDS MGMT, MAPT, TST ALDH1A1 3735/4885HSD17B10 4780/4885TSHR 1506/4885

“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.