SCHEMBL1470945

SCHEMBL1470945

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
AR P10275 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
SNCA P37840 1/20 0.35
NOX1 Q9Y5S8 3/20 0.33
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TP53 P04637 1/20 0.30
CNR2 P34972 1/20 0.30

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 0.90 SNCA (0.41) GAAARKDM4EALDH1A1POLB
SCHEMBL1472499 0.88 SNCA (0.39) GAAARKDM4EALDH1A1POLB
SCHEMBL1472458 0.88 SNCA (0.39) GAAARKDM4EALDH1A1POLB
SCHEMBL5724721 0.85 GAA (0.36) GAAARKDM4EALDH1A1POLB
SCHEMBL1472475 0.83 SNCA (0.38) GAAARKDM4EALDH1A1POLB
Iodide SCHEMBL3714593 0.83 NOX1 (0.50) GAAARKDM4EALDH1A1POLB
Iodide SCHEMBL3714591 0.83 NOX1 (0.50) GAAARKDM4EALDH1A1POLB
Iodide SCHEMBL3714596 0.83 NOX1 (0.50) GAAARKDM4EALDH1A1POLB
SCHEMBL1470385 0.82 SNCA (0.37) GAAARKDM4EALDH1A1POLB
SCHEMBL5725873 0.82 SNCA (0.41) GAAARKDM4EALDH1A1POLB

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 GAA 3733/4885AR 1400/4885KDM4E 2066/4885
US-20120302557-A1 BIOLOGICALLY ACTIVE METHYLENE BLUE DERIVATIVES NR2E3, NR1I3, NR0B2 GAA 4534/4885AR 1010/4885KDM4E 2606/4885
US-20040147508-A1 Biologically active methylene blue derivatives HCCS, CYBA, HMBS GAA 3678/4885AR 1535/4885KDM4E 1996/4885
US-20080268033-A1 BIOLOGICALLY ACTIVE METHYLENE BLUE DERIVATIVES XPA, XPOT, XPO4 GAA 3513/4885AR 776/4885KDM4E 2702/4885
US-20080312219-A1 Diamino-substituted phenothiazinium compound; antimicrobial photosensitisers effective against Gram negative bacteria, Gram positive bacteria; photodynamic therapy XPA, XPOT, XPO4 GAA 2499/4885AR 1687/4885KDM4E 3541/4885
US-20080275033-A1 BIOLOGICALLY ACTIVE METHYLENE BLUE DERIVATIVES XPA, XPO7, XPO4 GAA 3578/4885AR 1473/4885KDM4E 1534/4885

“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.