SCHEMBL1472499

SCHEMBL1472499

CCCCN(CCCC)c1ccc2c(c1)Sc1cc(N(CCC)CCC)ccc1N2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 3/20 0.39
GAA P10253 4/20 0.39
AR P10275 3/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NOX1 Q9Y5S8 5/20 0.37
MAPT P10636 3/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.33
HTR7 P34969 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 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
SCHEMBL11763196 0.97 SNCA (0.41) SNCAGAAARPOLBKDM4E
SCHEMBL1472475 0.95 SNCA (0.38) SNCAGAAARPOLBKDM4E
SCHEMBL1470385 0.94 SNCA (0.37) SNCAGAAARPOLBKDM4E
SCHEMBL1472458 0.94 SNCA (0.39) SNCAGAAARPOLBKDM4E
SCHEMBL12592413 0.94 SNCA (0.43) SNCAGAAARPOLBKDM4E
SCHEMBL1470932 0.89 SNCA (0.40) SNCAGAAARKDM4EALDH1A1
Iodide SCHEMBL16496799 0.89 SNCA (0.36) SNCAGAAARPOLBKDM4E
Iodide SCHEMBL3714596 0.89 NOX1 (0.50) SNCAGAAARPOLBKDM4E
Iodide SCHEMBL3714591 0.89 NOX1 (0.50) SNCAGAAARPOLBKDM4E
Iodide SCHEMBL3714593 0.89 NOX1 (0.50) SNCAGAAARPOLBKDM4E

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 3060/4885GAA 3733/4885AR 1400/4885
US-20120302557-A1 BIOLOGICALLY ACTIVE METHYLENE BLUE DERIVATIVES NR2E3, NR1I3, NR0B2 SNCA 4295/4885GAA 4534/4885AR 1010/4885
US-20040147508-A1 Biologically active methylene blue derivatives HCCS, CYBA, HMBS SNCA 2236/4885GAA 3678/4885AR 1535/4885
US-20080268033-A1 BIOLOGICALLY ACTIVE METHYLENE BLUE DERIVATIVES XPA, XPOT, XPO4 SNCA 1789/4885GAA 3513/4885AR 776/4885
US-20080312219-A1 Diamino-substituted phenothiazinium compound; antimicrobial photosensitisers effective against Gram negative bacteria, Gram positive bacteria; photodynamic therapy XPA, XPOT, XPO4 SNCA 3248/4885GAA 2499/4885AR 1687/4885
US-20080275033-A1 BIOLOGICALLY ACTIVE METHYLENE BLUE DERIVATIVES XPA, XPO7, XPO4 SNCA 1355/4885GAA 3578/4885AR 1473/4885

“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.