SCHEMBL1472495

SCHEMBL1472495

CCCCN(CCCC)c1ccc2nc3ccc(N(CCC)CCC)cc3[s+]c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.40
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
MAPK1 P28482 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SLC16A3 O15427 2/20 0.37
SLC16A1 P53985 2/20 0.37
POLB P06746 2/20 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
CASR P41180 1/20 0.33
CRHR1 P34998 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
Iodide SCHEMBL1470298 0.98 TERT (0.39) TERTKDM4EMEN1NPC1RAB9A
SCHEMBL127217 0.97 TERT (0.42) TERTKDM4EMEN1NPC1RAB9A
SCHEMBL1472472 0.95 TERT (0.39) TERTKDM4EMEN1NPC1RAB9A
Hydrochloric Acid SCHEMBL5144530 0.95 TERT (0.41) TERTKDM4EMEN1NPC1RAB9A
Bromide SCHEMBL1146683 0.95 TERT (0.41) TERTKDM4EMEN1NPC1RAB9A
Iodide SCHEMBL1472479 0.94 TERT (0.38) TERTKDM4EMEN1NPC1RAB9A
SCHEMBL1470384 0.94 TERT (0.38) TERTKDM4EMEN1NPC1RAB9A
SCHEMBL1472456 0.94 TERT (0.40) TERTKDM4EMEN1NPC1RAB9A
SCHEMBL129138 0.94 TERT (0.44) TERTKDM4EMEN1NPC1RAB9A
Iodide SCHEMBL1470916 0.93 TERT (0.37) TERTKDM4EMEN1NPC1RAB9A

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 3146/4885KDM4E 2066/4885MEN1 267/4885
US-20120302557-A1 BIOLOGICALLY ACTIVE METHYLENE BLUE DERIVATIVES NR2E3, NR1I3, NR0B2 TERT 3769/4885KDM4E 2606/4885MEN1 2403/4885
US-20040147508-A1 Biologically active methylene blue derivatives HCCS, CYBA, HMBS TERT 3952/4885KDM4E 1996/4885MEN1 314/4885
US-20080268033-A1 BIOLOGICALLY ACTIVE METHYLENE BLUE DERIVATIVES XPA, XPOT, XPO4 TERT 2810/4885KDM4E 2702/4885MEN1 333/4885
US-20080312219-A1 Diamino-substituted phenothiazinium compound; antimicrobial photosensitisers effective against Gram negative bacteria, Gram positive bacteria; photodynamic therapy XPA, XPOT, XPO4 TERT 3009/4885KDM4E 3541/4885MEN1 504/4885
US-20080275033-A1 BIOLOGICALLY ACTIVE METHYLENE BLUE DERIVATIVES XPA, XPO7, XPO4 TERT 774/4885KDM4E 1534/4885MEN1 529/4885

“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.