SCHEMBL2424978

SCHEMBL2424978

CCOc1cc2c(cc1N)Sc1cc(N(C)C)ccc1N2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.37
KMT2A Q03164 7/20 0.37
MEN1 O00255 6/20 0.37
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 3/20 0.37
MAPK1 P28482 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
SNCA P37840 2/20 0.36
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
USP2 O75604 1/20 0.33
ELANE P08246 1/20 0.33
NOX1 Q9Y5S8 4/20 0.33
TDP1 Q9NUW8 4/20 0.33
GAA P10253 4/20 0.33
LMNA P02545 3/20 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
SCHEMBL2428034 0.89 S100B (0.38) MAPTKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL2428159 0.86 SNCA (0.45) MAPTKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL2427948 0.81 MAPT (0.36) MAPTKMT2AMEN1MAPK1L3MBTL1
SCHEMBL3931877 0.79 APAF1 (0.43) MAPTKMT2AMEN1ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL20676747 0.78 APAF1 (0.42) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL2428865 0.78 SNCA (0.42) MAPTKMT2AMEN1ALDH1A1HSD17B10
Hydromethylthionine SCHEMBL29356148 0.78 SNCA (0.50) MAPTKMT2AMEN1ALDH1A1HSD17B10
Hydromethylthionine SCHEMBL12592446 0.78 SNCA (0.50) MAPTKMT2AMEN1ALDH1A1HSD17B10
Hydromethylthionine SCHEMBL109756 0.78 SNCA (0.50) MAPTKMT2AMEN1ALDH1A1HSD17B10
Hydromethylthionine SCHEMBL23683393 0.76 SNCA (0.48) MAPTKMT2AMEN1ALDH1A1HSD17B10

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 MAPT 4106/4885KMT2A 682/4885MEN1 1190/4885

“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.