SCHEMBL6113993

SCHEMBL6113993

Brc1cc(-n2c3ccccc3c3cnccc32)cc(-n2c3ccccc3c3cnccc32)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.49
MAOB P27338 4/20 0.49
ACHE P22303 3/20 0.49
KDM4E B2RXH2 2/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP2D6 P10635 1/20 0.43
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
TOP2A P11388 1/20 0.38
SLC6A2 P23975 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
RAD52 P43351 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL5021388 0.97 MAOA (0.49) MAOAMAOBACHEKDM4EATM
SCHEMBL5021387 0.92 MAOA (0.56) MAOAMAOBACHEKDM4EATM
SCHEMBL16356751 0.92 MAOA (0.56) MAOAMAOBACHEKDM4EATM
SCHEMBL16356750 0.92 MAOA (0.56) MAOAMAOBACHEKDM4EATM
SCHEMBL261895 0.92 MAOA (0.56) MAOAMAOBACHEKDM4EATM
SCHEMBL804490 0.91 KDM4E (0.43) MAOAMAOBACHEKDM4EATM
SCHEMBL966613 0.88 MAOA (0.47) MAOAMAOBACHEKDM4EATM
SCHEMBL1963751 0.88 MAOA (0.47) MAOAMAOBACHEKDM4EATM
SCHEMBL21100432 0.87 MAOA (0.51) MAOAMAOBACHEKDM4EATM
SCHEMBL966752 0.86 MAOA (0.50) MAOAMAOBACHEKDM4EATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2463287-B1 COMPOUND HAVING SUBSTITUTED ANTHRACENE RING STRUCTURE AND PYRIDOINDOLE RING STRUCTURE AND ORGANIC ELECTROLUMINESCENCE DEVICE HODOGAYA CHEMICAL CO LTD (JP) 2015-03-18 EP disclosed
US-8927119-B2 Compound having substituted anthracene ring structure and pyridoindole ring structure, and organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2015-01-06 US disclosed
EP-2463287-A1 COMPOUND HAVING SUBSTITUTED ANTHRACENE RING STRUCTURE AND PYRIDOINDOLE RING STRUCTURE AND ORGANIC ELECTROLUMINESCENCE DEVICE Hodogaya Chemical Co., Ltd. (JP) 2012-06-13 EP disclosed
US-20120126220-A1 COMPOUND HAVING SUBSTITUTED ANTHRACENE RING STRUCTURE AND PYRIDOINDOLE RING STRUCTURE, AND ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2012-05-24 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-20120126220-A1 COMPOUND HAVING SUBSTITUTED ANTHRACENE RING STRUCTURE AND PYRIDOINDOLE RING STRUCTURE, AND ORGANIC ELECTROLUMINESCENT DEVICE SLCO2B1, PNPO, SLCO2A1 MAOA 314/4885MAOB 226/4885ACHE 406/4885

“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.