SCHEMBL1470932

SCHEMBL1470932

CCCN(CCC)c1ccc2c(c1)Sc1cc(N(CC)CC)ccc1N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPT P10636 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
GAA P10253 3/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 2/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
NOX1 Q9Y5S8 4/20 0.38
TERT O14746 1/20 0.38
S100B P04271 1/20 0.37
MAPK1 P28482 4/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
MEN1 O00255 2/20 0.36

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
SCHEMBL12592413 0.95 SNCA (0.43) SNCAALDH1A1MAPTTDP1GAA
SCHEMBL972682 0.92 SNCA (0.46) SNCAALDH1A1MAPTTDP1GAA
SCHEMBL5724694 0.89 MAPT (0.39) SNCAMAPTTDP1GAALMNA
SCHEMBL1472499 0.89 SNCA (0.39) SNCAALDH1A1MAPTTDP1GAA
SCHEMBL1472475 0.88 SNCA (0.38) SNCAALDH1A1MAPTTDP1GAA
SCHEMBL1470385 0.87 SNCA (0.37) SNCAALDH1A1MAPTTDP1GAA
Iodide SCHEMBL3711284 0.87 NOX1 (0.53) SNCAALDH1A1MAPTTDP1GAA
Iodide SCHEMBL1471046 0.87 NOX1 (0.53) SNCAALDH1A1MAPTTDP1GAA
Iodide SCHEMBL3711286 0.87 NOX1 (0.53) SNCAALDH1A1MAPTTDP1GAA
SCHEMBL7044213 0.86 SNCA (0.41) SNCAALDH1A1MAPTTDP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687286-A1 DEVELOPMENTS IN BIOLOGICALLY ACTIVE METHYLENE BLUE DERIVATIVES (2) Photopharmica Limited (GB) 2006-08-09 EP claimed
WO-2005054217-A1 DEVELOPMENTS IN BIOLOGICALLY ACTIVE METHYLENE BLUE DERIVATIVES (2) PHOTOPHARMICA LIMITED (GB) 2005-06-16 WO claimed
US-20040147508-A1 Biologically active methylene blue derivatives PHOTOPHARMICA LIMITED 2004-07-29 US claimed
US-20120302557-A1 BIOLOGICALLY ACTIVE METHYLENE BLUE DERIVATIVES PHOTOPHARMICA LIMITED (GB) 2012-11-29 US disclosed
US-8188074-B2 Diamino-substituted phenothiazinium compound; antimicrobial photosensitisers effective against Gram negative bacteria, Gram positive bacteria; photodynamic therapy PHOTOPHARMICA LIMITED (GB) 2012-05-29 US disclosed
US-7915254-B2 Photosensitizers for photodynamic therapy; killing tissue, cells; anticancer agents PHOTOPHARMICA LIMITED (GB) 2011-03-29 US disclosed
US-7855197-B2 Biologically active methylene blue derivatives PHOTOPHARMICA LIMITED (GB) 2010-12-21 US disclosed
US-7732439-B2 Biologically active methylene blue derivatives PHOTOPHARMICA LIMITED (GB) 2010-06-08 US disclosed
US-20080312219-A1 Diamino-substituted phenothiazinium compound; antimicrobial photosensitisers effective against Gram negative bacteria, Gram positive bacteria; photodynamic therapy PHOTOPHARMICA LIMITED (GB) 2008-12-18 US disclosed
US-20080275033-A1 BIOLOGICALLY ACTIVE METHYLENE BLUE DERIVATIVES PHOTOPHARMICA LIMITED (GB) 2008-11-06 US disclosed
US-20080268033-A1 BIOLOGICALLY ACTIVE METHYLENE BLUE DERIVATIVES PHOTOPHARMICA LIMITED (GB) 2008-10-30 US disclosed
US-20080261960-A1 Biologically active methylene blue derivatives PHOTOPHARMICA LIMITED (GB) 2008-10-23 US disclosed
US-7371744-B2 Photosensitizers for photodynamic therapy; killing tissue, cells; anticancer agents PHOTOPHARMICA LIMITED (GB) 2008-05-13 US disclosed
EP-1687286-A1 DEVELOPMENTS IN BIOLOGICALLY ACTIVE METHYLENE BLUE DERIVATIVES (2) Photopharmica Limited (GB) 2006-08-09 EP disclosed
WO-2005054217-A1 DEVELOPMENTS IN BIOLOGICALLY ACTIVE METHYLENE BLUE DERIVATIVES (2) PHOTOPHARMICA LIMITED (GB) 2005-06-16 WO disclosed
US-20040147508-A1 Biologically active methylene blue derivatives PHOTOPHARMICA LIMITED 2004-07-29 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 (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-20080261960-A1 Biologically active methylene blue derivatives XPA, XPOT, XPO7 SNCA 3060/4885ALDH1A1 3445/4885MAPT 1629/4885
US-20120302557-A1 BIOLOGICALLY ACTIVE METHYLENE BLUE DERIVATIVES NR2E3, NR1I3, NR0B2 SNCA 4295/4885ALDH1A1 3373/4885MAPT 3870/4885
US-20040147508-A1 Biologically active methylene blue derivatives HCCS, CYBA, HMBS SNCA 2236/4885ALDH1A1 2018/4885MAPT 1623/4885
US-20080268033-A1 BIOLOGICALLY ACTIVE METHYLENE BLUE DERIVATIVES XPA, XPOT, XPO4 SNCA 1789/4885ALDH1A1 2151/4885MAPT 2428/4885
US-20080312219-A1 Diamino-substituted phenothiazinium compound; antimicrobial photosensitisers effective against Gram negative bacteria, Gram positive bacteria; photodynamic therapy XPA, XPOT, XPO4 SNCA 3248/4885ALDH1A1 4080/4885MAPT 1008/4885
US-20080275033-A1 BIOLOGICALLY ACTIVE METHYLENE BLUE DERIVATIVES XPA, XPO7, XPO4 SNCA 1355/4885ALDH1A1 3510/4885MAPT 3845/4885

“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.