SCHEMBL129213

SCHEMBL129213

C=CCN(CC=C)c1ccc2nc3ccc(=[N+](CC=C)CC=C)cc-3sc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
THRB P10828 4/20 0.56
MAPK1 P28482 4/20 0.56
RECQL P46063 4/20 0.56
TDP1 Q9NUW8 4/20 0.56
APP P05067 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
KDM4E B2RXH2 3/20 0.56
POLB P06746 3/20 0.56
BLM P54132 3/20 0.56
KMT2A Q03164 3/20 0.56
ATM Q13315 3/20 0.56
NPSR1 Q6W5P4 3/20 0.56
MEN1 O00255 2/20 0.56
APAF1 O14727 2/20 0.56
GSR P00390 2/20 0.56
PKM P14618 2/20 0.56
MAOA P21397 2/20 0.56
PPARG P37231 2/20 0.56
HTT P42858 2/20 0.56

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
SCHEMBL15909595 0.81 APP (0.48) MAPTTHRBMAPK1RECQLTDP1
SCHEMBL18070377 0.77 MAPT (0.60) MAPTTHRBMAPK1RECQLTDP1
SCHEMBL29400750 0.77 MAPT (0.60) MAPTTHRBMAPK1RECQLTDP1
Hydrochloric Acid SCHEMBL31114230 0.76 MAPT (0.61) MAPTTHRBMAPK1RECQLTDP1
SCHEMBL18070252 0.75 APP (0.77) MAPTTHRBMAPK1RECQLTDP1
SCHEMBL14495209 0.74 MAPT (0.60) MAPTTHRBMAPK1RECQLTDP1
SCHEMBL14495218 0.72 MAPT (0.58) MAPTTHRBMAPK1RECQLTDP1
Methylene Blue Cation SCHEMBL127316 0.72 APP (1.00) MAPTTHRBMAPK1RECQLTDP1
Methylene Blue Cation SCHEMBL29441543 0.72 APP (1.00) MAPTTHRBMAPK1RECQLTDP1
SCHEMBL18070266 0.72 APP (0.70) MAPTTHRBMAPK1RECQLTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20120058995-A1 METHODS OF CHEMICAL SYNTHESIS OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INVOLVING THE USE OF PERSULFATE OXIDANTS WISTA LABORATORIES LTD. (SG) 2012-03-08 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 (1 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-20120058995-A1 METHODS OF CHEMICAL SYNTHESIS OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INVOLVING THE USE OF PERSULFATE OXIDANTS TST, TPMT, MGMT MAPT 6/4885THRB 1086/4885MAPK1 3825/4885

“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.