SCHEMBL5028204

SCHEMBL5028204

c1ccc(-c2cccc3c2sc2c(-n4c5ccncc5c5cnccc54)cccc23)c(-c2cccc3c2sc2c(-n4c5ccccc5c5ccccc54)cccc23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 4/20 0.43
▸ MAOB P27338 4/20 0.43
▸ ACHE P22303 2/20 0.43
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2A Q12879 1/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ DUSP3 P51452 1/20 0.35
▸ IDO1 P14902 1/20 0.34
▸ DDB1 Q16531 1/20 0.34
▸ CRBN Q96SW2 1/20 0.34
▸ CYP17A1 P05093 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ TNF P01375 1/20 0.33
▸ SLC6A2 P23975 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ LIMK1 P53667 1/20 0.31
▸ TOP2A P11388 1/20 0.31

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
SCHEMBL10092208 0.87 ALDH1A1 (0.41) DUSP3CYP1A2ALDH1A1LIMK1
SCHEMBL22409545 0.85 ALOX5 (0.36) MAOAMAOBACHEGRIN1GRIN2A
SCHEMBL5028200 0.83 DDB1 (0.35) MAOAMAOBACHEGRIN1GRIN2A
SCHEMBL12925600 0.83 ALDH1A1 (0.40) DUSP3CYP1A2ALDH1A1LIMK1
SCHEMBL22409546 0.82 IDO1 (0.38) MAOAMAOBACHEGRIN1GRIN2A
SCHEMBL18089914 0.82 MAOA (0.39) MAOAMAOBACHEGRIN1GRIN2A
SCHEMBL18090083 0.82 MAOA (0.39) MAOAMAOBACHEGRIN1GRIN2A
SCHEMBL26331390 0.81 KDM4E (0.35) MAOAMAOBACHEGRIN1GRIN2A
SCHEMBL18252174 0.81 MAOA (0.47) MAOAMAOBACHEGRIN1GRIN2A
SCHEMBL25751993 0.80 ALDH1A1 (0.38) MAOAMAOBACHEGRIN1GRIN2A

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 MAOA 71/4885MAOB 36/4885ACHE 687/4885

“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.

Send feedback