SCHEMBL755546

SCHEMBL755546

O=c1c(O)c(-c2ccccn2)oc2cccc(OCc3ccc(F)cc3)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
EDNRA P25101 1/20 0.42
MAOB P27338 2/20 0.42
KMT2A Q03164 3/20 0.42
RAB9A P51151 3/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 2/20 0.42
SGMS2 Q8NHU3 1/20 0.40
POLB P06746 1/20 0.39
PDE5A O76074 1/20 0.39
ABCB1 P08183 2/20 0.39
MAPK14 Q16539 1/20 0.39
BRD4 O60885 1/20 0.39
AGTR1 P30556 1/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAOA P21397 1/20 0.38
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL2486966 0.88 KMT2A (0.44) BCHEACHEEDNRAMAOBKMT2A
SCHEMBL16921591 0.83 KMT2A (0.43) BCHEACHEEDNRAMAOBKMT2A
SCHEMBL753886 0.81 KDM4E (0.51) KMT2ARAB9AMEN1NPC1POLB
SCHEMBL765549 0.81 ANO1 (0.52) ACHEMAOBLMNAMAPTL3MBTL1
SCHEMBL2485294 0.80 ABCB1 (0.41) BCHEACHEEDNRAMAOBKMT2A
SCHEMBL27651725 0.79 MEN1 (0.60) BCHEACHEEDNRAMAOBKMT2A
SCHEMBL754396 0.78 BRD4 (0.41) BCHEACHEEDNRAMAOBKMT2A
SCHEMBL753195 0.78 BRD4 (0.39) BCHEACHEEDNRAMAOBKMT2A
SCHEMBL757327 0.77 BRD4 (0.47) BCHEACHEEDNRAMAOBKMT2A
SCHEMBL17922021 0.76 MEN1 (0.62) BCHEACHEMAOBKMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 EP disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 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 (3 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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT BCHE 2050/4885ACHE 2914/4885EDNRA 3649/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI BCHE 1478/4885ACHE 1249/4885EDNRA 3030/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI BCHE 1478/4885ACHE 1249/4885EDNRA 3030/4885

“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.