SCHEMBL2428159

SCHEMBL2428159

COc1cc2c(cc1N)Sc1cc(N(C)C)ccc1N2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 4/20 0.45
NOX1 Q9Y5S8 4/20 0.40
MAPT P10636 4/20 0.40
MAPK1 P28482 3/20 0.40
GAA P10253 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
NQO2 P16083 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
SCHEMBL2428865 0.86 SNCA (0.42) SNCANOX1MAPTMAPK1GAA
SCHEMBL2424978 0.86 MAPT (0.37) SNCANOX1MAPTMAPK1GAA
SCHEMBL3931877 0.82 APAF1 (0.43) SNCANOX1MAPTMAPK1GAA
Hydrochloric Acid SCHEMBL20676747 0.81 APAF1 (0.42) SNCANOX1MAPTMAPK1GAA
Hydromethylthionine SCHEMBL109756 0.81 SNCA (0.50) SNCANOX1MAPTMAPK1GAA
Hydromethylthionine SCHEMBL12592446 0.81 SNCA (0.50) SNCANOX1MAPTMAPK1GAA
Hydromethylthionine SCHEMBL29356148 0.81 SNCA (0.50) SNCANOX1MAPTMAPK1GAA
Hydromethylthionine SCHEMBL25194477 0.79 SNCA (0.48) SNCANOX1MAPTMAPK1GAA
Hydromethylthionine SCHEMBL25199191 0.79 SNCA (0.48) SNCANOX1MAPTMAPK1GAA
Hydromethylthionine SCHEMBL23683393 0.79 SNCA (0.48) SNCANOX1MAPTMAPK1GAA

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 SNCA 2931/4885NOX1 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.