SCHEMBL1966693

SCHEMBL1966693

Brc1ccc(-n2c3ccccc3c3cnccc32)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.47
MAOA P21397 4/20 0.47
MAOB P27338 4/20 0.47
ACHE P22303 2/20 0.47
ALDH1A1 P00352 2/20 0.45
CYP2D6 P10635 1/20 0.41
USP2 O75604 1/20 0.39
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
DPP4 P27487 1/20 0.37
TOP2A P11388 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
SCHEMBL12031701 0.89 ALDH1A1 (0.52) G6PDACHEALDH1A1USP2GRIN1
SCHEMBL6114296 0.89 MAOA (0.43) G6PDMAOAMAOBACHEALDH1A1
SCHEMBL15394901 0.84 MAOA (0.48) MAOAMAOBACHECYP2D6GRIN1
SCHEMBL16644610 0.82 MAOA (0.50) MAOAMAOBACHEALDH1A1CYP2D6
SCHEMBL6113941 0.82 MAPT (0.39) G6PDMAOAMAOBACHEALDH1A1
SCHEMBL966752 0.80 MAOA (0.50) MAOAMAOBACHECYP2D6GRIN1
SCHEMBL261825 0.80 MAOA (0.48) MAOAMAOBACHECYP2D6GRIN1
SCHEMBL21453895 0.79 MAOA (0.43) MAOAMAOBACHECYP2D6GRIN1
SCHEMBL17127144 0.79 MAOA (0.47) G6PDMAOAMAOBACHECYP2D6
SCHEMBL16640315 0.79 MAOA (0.43) MAOAMAOBACHECYP2D6GRIN1

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 G6PD 1472/4885MAOA 279/4885MAOB 124/4885

“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.