SCHEMBL5006775

SCHEMBL5006775

C#Cc1ccc(-c2ccc(-c3ccccc3Nc3cccc(C)c3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
ADORA2A P29274 1/20 0.41
MAPT P10636 6/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
CASP6 P55212 1/20 0.40
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
P2RY2 P41231 1/20 0.37
P2RY4 P51582 1/20 0.37
P2RY6 Q15077 1/20 0.37
P2RY12 Q9H244 1/20 0.37
LMNA P02545 2/20 0.36
APAF1 O14727 1/20 0.36
MITF O75030 1/20 0.36

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
SCHEMBL2504962 0.83 NPSR1 (0.62) NPSR1ADORA2AMAPTL3MBTL1ALDH1A1
SCHEMBL17246942 0.82 NPSR1 (0.61) NPSR1ADORA2AMAPTL3MBTL1ALDH1A1
SCHEMBL5357369 0.82 NPSR1 (0.49) NPSR1ADORA2AMAPTL3MBTL1ALDH1A1
SCHEMBL6666250 0.80 NPSR1 (0.50) NPSR1ADORA2AMAPTL3MBTL1ALDH1A1
SCHEMBL7874989 0.77 NPSR1 (0.46) NPSR1ADORA2AMAPTL3MBTL1ALDH1A1
SCHEMBL130522 0.75 NPSR1 (0.46) NPSR1MAPTL3MBTL1ALDH1A1GAA
SCHEMBL1922073 0.74 NPSR1 (0.72) NPSR1ADORA2AMAPTALDH1A1SMN1; SMN2
SCHEMBL17246941 0.73 NPSR1 (0.56) NPSR1ADORA2AMAPTL3MBTL1ALDH1A1
SCHEMBL24911411 0.73 SIRT2 (0.55) MAPTALDH1A1KDM4EGAATP53
SCHEMBL20317131 0.73 SIRT2 (0.55) MAPTALDH1A1KDM4EGAATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344142-B2 perylenetetracarboxylic diimide core having side chains (groups or mesogens) attached to the core; to provide charge-transport materials having various volatilities, solubilities, crystallinity, and charge transport ability; organic light emitting diode; photovoltaic cells, light-emitting diodes GEORGIA TECH RESEARCH CORPORATION (US) 2013-01-01 US disclosed
US-20080223444-A1 Perylene Charge-Transport Materials, Methods of Fabrication Thereof, and Methods of Use Thereof GEORGIA TECH RESEARCH CORPORATION 2008-09-18 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-20080223444-A1 Perylene Charge-Transport Materials, Methods of Fabrication Thereof, and Methods of Use Thereof SLC43A1, SLC3A2, SLC16A3 NPSR1 3254/4885ADORA2A 1732/4885MAPT 1950/4885

“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.