SCHEMBL2434682

SCHEMBL2434682

CCc1ccc2c(c1N)Nc1ccc(N(CC)CC)cc1S2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.36
RET P07949 1/20 0.35
ALDH1A1 P00352 4/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
MAPK1 P28482 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
GFER P55789 2/20 0.34
PSMD14 O00487 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
RECQL P46063 1/20 0.34
MAPT P10636 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 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
SCHEMBL2434660 0.89 MAPT (0.35) L3MBTL1MAPK1TDP1GFERMAPT
SCHEMBL15926398 0.82 NOX1 (0.36) S100BRETALDH1A1L3MBTL1MAPK1
SCHEMBL972682 0.79 SNCA (0.46) S100BRETALDH1A1L3MBTL1MAPK1
SCHEMBL7902250 0.76 S100B (0.34) S100BRETALDH1A1L3MBTL1MAPT
SCHEMBL2429634 0.74 S100B (0.41) S100BRETALDH1A1L3MBTL1MAPK1
SCHEMBL7044213 0.74 SNCA (0.41) S100BALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL1470932 0.73 SNCA (0.40) S100BRETALDH1A1L3MBTL1MAPK1
SCHEMBL14321240 0.72 S100B (0.39) S100BRETALDH1A1L3MBTL1MAPK1
SCHEMBL2428865 0.72 SNCA (0.42) S100BALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL2428034 0.72 S100B (0.38) S100BRETALDH1A1L3MBTL1MAPK1

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 1790/4885RET 540/4885ALDH1A1 876/4885

“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.