SCHEMBL1472456

SCHEMBL1472456

CCCCCN(CCCCC)c1ccc2nc3ccc(N(CCCC)CCCC)cc3[s+]c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.40
SLC16A3 O15427 2/20 0.39
SLC16A1 P53985 2/20 0.39
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
AR P10275 1/20 0.36
APP P05067 2/20 0.35
TLR8 Q9NR97 1/20 0.33
ELANE P08246 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
RAB9A P51151 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
NLRP3 Q96P20 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NR1H2 P55055 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
Bromide SCHEMBL12988304 0.97 TERT (0.40) TERTSLC16A3SLC16A1POLBKDM4E
SCHEMBL127217 0.97 TERT (0.42) TERTSLC16A3SLC16A1POLBKDM4E
SCHEMBL1472472 0.95 TERT (0.39) TERTSLC16A3SLC16A1POLBKDM4E
Bromide SCHEMBL12987783 0.95 TERT (0.39) TERTSLC16A3SLC16A1POLBKDM4E
Hydrochloric Acid SCHEMBL5144530 0.95 TERT (0.41) TERTSLC16A3SLC16A1POLBKDM4E
Bromide SCHEMBL1146683 0.95 TERT (0.41) TERTSLC16A3SLC16A1POLBKDM4E
Iodide SCHEMBL1472479 0.94 TERT (0.38) TERTSLC16A3SLC16A1POLBKDM4E
SCHEMBL1470384 0.94 TERT (0.38) TERTSLC16A3SLC16A1POLBKDM4E
SCHEMBL1472495 0.94 TERT (0.40) TERTSLC16A3SLC16A1POLBKDM4E
Iodide SCHEMBL1470916 0.93 TERT (0.37) TERTSLC16A3SLC16A1POLBKDM4E

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 TERT 3146/4885SLC16A3 4134/4885SLC16A1 4320/4885
US-20120302557-A1 BIOLOGICALLY ACTIVE METHYLENE BLUE DERIVATIVES NR2E3, NR1I3, NR0B2 TERT 3769/4885SLC16A3 2622/4885SLC16A1 3786/4885
US-20040147508-A1 Biologically active methylene blue derivatives HCCS, CYBA, HMBS TERT 3952/4885SLC16A3 4561/4885SLC16A1 4370/4885
US-20080268033-A1 BIOLOGICALLY ACTIVE METHYLENE BLUE DERIVATIVES XPA, XPOT, XPO4 TERT 2810/4885SLC16A3 4289/4885SLC16A1 4321/4885
US-20080312219-A1 Diamino-substituted phenothiazinium compound; antimicrobial photosensitisers effective against Gram negative bacteria, Gram positive bacteria; photodynamic therapy XPA, XPOT, XPO4 TERT 3009/4885SLC16A3 2359/4885SLC16A1 3211/4885
US-20080275033-A1 BIOLOGICALLY ACTIVE METHYLENE BLUE DERIVATIVES XPA, XPO7, XPO4 TERT 774/4885SLC16A3 4495/4885SLC16A1 4600/4885

“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.