SCHEMBL9921846

SCHEMBL9921846

c1cc(-c2cccc(-c3cccc(-c4cccc(-n5c6ccccc6c6ncccc65)c4)n3)n2)cc(-n2c3ccccc3c3cnccc32)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.36
MAOB P27338 4/20 0.36
ACHE P22303 1/20 0.36
GRM5 P41594 3/20 0.36
MAPT P10636 2/20 0.35
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
PDE10A Q9Y233 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KARS1 Q15046 1/20 0.33
CYP1A2 P05177 2/20 0.33
METAP2 P50579 2/20 0.33
DHFR P00374 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP19A1 P11511 1/20 0.32
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
SCHEMBL12919258 0.96 MAOA (0.34) MAOAMAOBACHEGRM5MAPT
SCHEMBL5944292 0.95 MAOA (0.33) MAOAMAOBACHEGRM5MAPT
SCHEMBL4561480 0.95 MAOA (0.33) MAOAMAOBACHEGRM5MAPT
SCHEMBL12919283 0.94 GRM5 (0.36) GRM5MAPTHTR1AHTR7PDE10A
SCHEMBL9921890 0.91 HTR1A (0.39) GRM5MAPTHTR1AHTR7KDM4E
SCHEMBL14706285 0.91 MAOA (0.43) MAOAMAOBACHEGRM5MAPT
SCHEMBL9921850 0.91 MAOA (0.43) MAOAMAOBACHEGRM5MAPT
SCHEMBL9921806 0.90 MAOA (0.43) MAOAMAOBACHEGRM5MAPT
SCHEMBL14706283 0.90 MAOA (0.43) MAOAMAOBACHEGRM5MAPT
SCHEMBL12919243 0.89 MAOA (0.38) MAOAMAOBACHEMAPTPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2241568-B1 COMPOUND HAVING SUBSTITUTED PYRIDYL GROUP AND PYRIDOINDOLE RING STRUCTURE LINKED THROUGH PHENYLENE GROUP, AND ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO LTD (JP) 2014-09-10 EP disclosed
US-8377573-B2 Compound having substituted pyridyl group and pyridoindole ring structure linked through phenylene group, and organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2013-02-19 US disclosed
US-8377573-B2 Compound having substituted pyridyl group and pyridoindole ring structure linked through phenylene group, and organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2013-02-19 US disclosed
EP-2463288-A1 Compound having substituted pyridyl group and pyridoindole ring structure linked through phenylene group, and organic electroluminescent device Hodogaya Chemical Co., Ltd. (JP) 2012-06-13 EP disclosed
US-20110006291-A1 COMPOUND HAVING SUBSTITUTED PYRIDYL GROUP AND PYRIDOINDOLE RING STRUCTURE LINKED THROUGH PHENYLENE GROUP, AND ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO. LTD. (JP) 2011-01-13 US disclosed
US-20110006291-A1 COMPOUND HAVING SUBSTITUTED PYRIDYL GROUP AND PYRIDOINDOLE RING STRUCTURE LINKED THROUGH PHENYLENE GROUP, AND ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO. LTD. (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-20110006291-A1 COMPOUND HAVING SUBSTITUTED PYRIDYL GROUP AND PYRIDOINDOLE RING STRUCTURE LINKED THROUGH PHENYLENE GROUP, AND ORGANIC ELECTROLUMINESCENT DEVICE KCNH3, KCNH2, CHRNA9 MAOA 599/4885MAOB 360/4885ACHE 1227/4885

“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.