SCHEMBL2430499

SCHEMBL2430499

CCN(CC)c1ccc2c(c1)Sc1cc(N)c(-c3ccccc3)cc1N2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.38
NOX1 Q9Y5S8 6/20 0.36
MAPT P10636 7/20 0.35
MAPK1 P28482 6/20 0.35
GAA P10253 5/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 6/20 0.34
MEN1 O00255 6/20 0.34
KMT2A Q03164 6/20 0.34
ALDH1A1 P00352 5/20 0.34
TDP1 Q9NUW8 4/20 0.34
USP2 O75604 2/20 0.34
CTNNB1 P35222 1/20 0.34
ATM Q13315 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HTT P42858 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 3/20 0.34

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
SCHEMBL2428479 0.86 NOX1 (0.37) NOX1MAPTMAPK1GAANPC1
SCHEMBL2425936 0.82 S100B (0.37) S100BNOX1MAPTMAPK1GAA
SCHEMBL972682 0.80 SNCA (0.46) S100BNOX1MAPTMAPK1GAA
SCHEMBL2429634 0.80 S100B (0.41) S100BNOX1MAPTMAPK1GAA
SCHEMBL14321240 0.78 S100B (0.39) S100BNOX1MAPTMAPK1GAA
SCHEMBL2428865 0.78 SNCA (0.42) S100BNOX1MAPTMAPK1GAA
Iodide SCHEMBL3711619 0.78 NOX1 (0.55) NOX1MAPTMAPK1GAANPC1
Iodide SCHEMBL3711622 0.78 NOX1 (0.55) NOX1MAPTMAPK1GAANPC1
Iodide SCHEMBL3711621 0.78 NOX1 (0.55) NOX1MAPTMAPK1GAANPC1
SCHEMBL2428034 0.77 S100B (0.38) S100BNOX1MAPTMAPK1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2547668-A1 TOLUIDINE BLUE DERIVATIVES AS PHOTOSENSITISING COMPOUNDS Pharmalucia Ltd (GB) 2013-01-23 EP disclosed
US-20120328530-A1 TOLUIDINE BLUE DERIVATIVES AS PHOTOSENSITISING COMPOUNDS PHARMALUCIA LIMITED (GB) 2012-12-27 US disclosed
WO-2011114137-A1 TOLUIDINE BLUE DERIVATIVES AS PHOTOSENSITISING COMPOUNDS PHARMALUCIA LIMITED (GB) 2011-09-22 WO 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 (1 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-20120328530-A1 TOLUIDINE BLUE DERIVATIVES AS PHOTOSENSITISING COMPOUNDS TYR, TST, TH S100B 1790/4885NOX1 635/4885MAPT 4106/4885

“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.