SCHEMBL5028392

SCHEMBL5028392

c1cc(-n2c3ncccc3c3cccnc32)c2oc3ccc(-n4c5ncccc5c5cccnc54)cc3c2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
NPC1 O15118 2/20 0.33
FEN1 P39748 1/20 0.32
NCOA1 Q15788 1/20 0.32
TSHR P16473 3/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP2C19 P33261 2/20 0.32
DRD4 P21917 1/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
HPGD P15428 2/20 0.31
USP2 O75604 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
CYP1A2 P05177 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
PDE4A P27815 1/20 0.30
LIMK1 P53667 1/20 0.30

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
SCHEMBL5028008 0.89 MAPT (0.33) MAPTNPC1FEN1NCOA1TSHR
SCHEMBL9890195 0.89 NCOA1 (0.38) MAPTNPC1FEN1NCOA1TSHR
SCHEMBL9890325 0.87 KDM4E (0.33) MAPTNPC1FEN1TSHRALDH1A1
SCHEMBL9890122 0.84 MAPT (0.40) MAPTNPC1FEN1NCOA1TSHR
SCHEMBL9890444 0.84 MAPT (0.36) MAPTNPC1FEN1NCOA1TSHR
SCHEMBL9890377 0.83 MAPT (0.39) MAPTNPC1FEN1NCOA1TSHR
SCHEMBL12925817 0.82 PDE4D (0.33) MAPTNPC1NCOA1TSHRLMNA
SCHEMBL9890562 0.81 MAPT (0.37) MAPTNPC1FEN1NCOA1TSHR
SCHEMBL12925735 0.81 NPC1 (0.34) MAPTNPC1DRD4
SCHEMBL9890187 0.80 NCOA1 (0.37) MAPTNPC1FEN1NCOA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130119360-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, NEW COMPOUND FOR THE SAME, DISPLAY DEVICE AND LIGHTING DEVICE USING THE SAME MERCK PATENT GMBH (DE) 2013-05-16 US disclosed
US-8367224-B2 Organic electroluminescence element, new compound for the same, display device and lighting device using the same KONICA MINOLTA HOLDINGS, INC. (JP) 2013-02-05 US disclosed
EP-2453496-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, NOVEL COMPOUND, LIGHTING DEVICE AND DISPLAY DEVICE Konica Minolta Holdings, Inc. (JP) 2012-05-16 EP disclosed
US-20110006670-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, NEW COMPOUND FOR THE SAME, DISPLAY DEVICE AND LIGHTING DEVICE USING THE SAME KONICA MINOLTA HOLDINGS, INC. (JP) 2011-01-13 US disclosed
US-20110006670-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, NEW COMPOUND FOR THE SAME, DISPLAY DEVICE AND LIGHTING DEVICE USING THE SAME KONICA MINOLTA HOLDINGS, INC. (JP) 2011-01-13 US 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-20110006670-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, NEW COMPOUND FOR THE SAME, DISPLAY DEVICE AND LIGHTING DEVICE USING THE SAME AOC2, AOC3, CDYL MAPT 4583/4885NPC1 4745/4885FEN1 2832/4885

“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.