SCHEMBL2429634

SCHEMBL2429634

CCCc1cc2c(cc1N)Sc1cc(N(CC)CC)ccc1N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.41
MAPK1 P28482 4/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
PSMD14 O00487 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
GFER P55789 1/20 0.36
SNCA P37840 1/20 0.35
MAPT P10636 4/20 0.35
GAA P10253 3/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL2427948 0.88 MAPT (0.36) MAPK1TDP1L3MBTL1SNCAMAPT
SCHEMBL972682 0.84 SNCA (0.46) S100BMAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL2425936 0.84 S100B (0.37) S100BMAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL14321240 0.82 S100B (0.39) S100BMAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL2428865 0.82 SNCA (0.42) S100BMAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL2428034 0.81 S100B (0.38) S100BMAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL1470932 0.80 SNCA (0.40) S100BMAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL2430499 0.80 S100B (0.38) S100BMAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL7044213 0.79 SNCA (0.41) S100BMAPK1ALDH1A1TDP1L3MBTL1
Iodide SCHEMBL3711622 0.76 NOX1 (0.55) MAPK1ALDH1A1TDP1L3MBTL1CYP3A4

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 1790/4885MAPK1 1536/4885ALDH1A1 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.