SCHEMBL754597

SCHEMBL754597

COCNC(=O)c1cc(OCc2ccc(F)cc2)c2c(=O)c(O)c(-c3ncnn3C)oc2c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
MAOB P27338 3/20 0.35
KDM5A P29375 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
ABCB1 P08183 1/20 0.33
LRRK2 Q5S007 1/20 0.33
MAPT P10636 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.32
NOX1 Q9Y5S8 1/20 0.32
PLA2G1B P04054 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
PTPN7 P35236 1/20 0.32
MAOA P21397 2/20 0.32
ANO1 Q5XXA6 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL2489447 0.90 BRD4 (0.37) BRD4MAOBKDM5AKDM5BLRRK2
SCHEMBL753747 0.90 KDM5A (0.42) BRD4MAOBKDM5AKDM5BABCB1
SCHEMBL2490161 0.88 BRD4 (0.43) BRD4KDM5AKDM5BABCB1ANO1
SCHEMBL16921596 0.88 BRD4 (0.43) BRD4MAOBKDM5AKDM5BABCB1
SCHEMBL756684 0.87 BRD4 (0.42) BRD4MAOBKDM5AKDM5BABCB1
SCHEMBL755553 0.86 BRD4 (0.41) BRD4MAOBKDM5AKDM5BABCB1
SCHEMBL3432852 0.84 BRD4 (0.40) BRD4MAOBKDM5AKDM5BABCB1
SCHEMBL754396 0.82 BRD4 (0.41) BRD4MAOBABCB1MAPTMAOA
SCHEMBL16908941 0.81 KDM5A (0.40) BRD4KDM5AKDM5BMAPTPTPN7
SCHEMBL752441 0.80 BRD4 (0.40) BRD4KDM5AKDM5BANO1

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 11 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-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
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-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 BRD4 586/4885MAOB 709/4885KDM5A 415/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI BRD4 427/4885MAOB 900/4885KDM5A 350/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI BRD4 427/4885MAOB 900/4885KDM5A 350/4885

“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.