SCHEMBL1963751

SCHEMBL1963751

Brc1cncc(-n2c3ccccc3c3cnccc32)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.47
MAOB P27338 4/20 0.47
ACHE P22303 2/20 0.47
CYP2D6 P10635 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
TOP2A P11388 1/20 0.36
CYP1A2 P05177 2/20 0.35
METAP2 P50579 2/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 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
SCHEMBL10025666 0.91 KDM4E (0.48) KDM4EATML3MBTL1SLC6A2CYP1A2
SCHEMBL16625761 0.89 MAOA (0.53) MAOAMAOBACHECYP2D6KDM4E
SCHEMBL6113993 0.88 MAOA (0.49) MAOAMAOBACHECYP2D6KDM4E
SCHEMBL5021388 0.88 MAOA (0.49) MAOAMAOBACHECYP2D6KDM4E
SCHEMBL966613 0.85 MAOA (0.47) MAOAMAOBACHECYP2D6KDM4E
SCHEMBL966752 0.83 MAOA (0.50) MAOAMAOBACHECYP2D6KDM4E
SCHEMBL5021387 0.82 MAOA (0.56) MAOAMAOBACHECYP2D6KDM4E
SCHEMBL261895 0.82 MAOA (0.56) MAOAMAOBACHECYP2D6KDM4E
SCHEMBL16356751 0.82 MAOA (0.56) MAOAMAOBACHECYP2D6KDM4E
SCHEMBL16356750 0.82 MAOA (0.56) MAOAMAOBACHECYP2D6KDM4E

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
EP-2336130-B1 COMPOUND HAVING SUBSTITUTED ANTHRACENE RING STRUCTURE AND PYRIDOINDOLE RING STRUCTURE AND ORGANIC ELECTROLUMINESCENCE DEVICE HODOGAYA CHEMICAL CO LTD (JP) 2017-06-28 EP disclosed
US-20130341604-A1 COMPOUND HAVING SUBSTITUTED ANTHRACENE RING STRUCTURE AND PYRIDOINDOLE RING STRUCTURE AND ORGANIC ELECTROLUMINESCENCE DEVICE HODOGAYA CHEMICAL CO LTD (JP) 2013-12-26 US disclosed
US-8586210-B2 Compound having substituted anthracene ring structure and pyridoindole ring structure and organic electroluminescence device HODOGAYA CHEMICAL CO., LTD. (JP) 2013-11-19 US disclosed
US-20110175079-A1 COMPOUND HAVING SUBSTITUTED ANTHRACENE RING STRUCTURE AND PYRIDOINDOLE RING STRUCTURE AND ORGANIC ELECTROLUMINESCENCE DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2011-07-21 US disclosed
EP-2336130-A1 COMPOUND HAVING SUBSTITUTED ANTHRACENE RING STRUCTURE AND PYRIDOINDOLE RING STRUCTURE AND ORGANIC ELECTROLUMINESCENCE DEVICE Hodogaya Chemical Co., Ltd. (JP) 2011-06-22 EP 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-20110175079-A1 COMPOUND HAVING SUBSTITUTED ANTHRACENE RING STRUCTURE AND PYRIDOINDOLE RING STRUCTURE AND ORGANIC ELECTROLUMINESCENCE DEVICE SLCO2A1, SLCO2B1, SLCO4C1 MAOA 279/4885MAOB 124/4885ACHE 881/4885

“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.