SCHEMBL756684

SCHEMBL756684

Cn1ncnc1-c1oc2cc(C(N)=O)cc(OCc3ccc(F)cc3)c2c(=O)c1O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
MAOB P27338 4/20 0.37
PARP10 Q53GL7 1/20 0.37
ABCB1 P08183 1/20 0.36
ANO1 Q5XXA6 1/20 0.34
KDM5A P29375 4/20 0.33
KDM5B Q9UGL1 4/20 0.33
MAPK14 Q16539 1/20 0.33
KDM4C Q9H3R0 3/20 0.33
NFKB1 P19838 1/20 0.33
XDH P47989 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
ACHE P22303 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
SCHEMBL16921596 0.92 BRD4 (0.43) BRD4MAOBABCB1ANO1KDM5A
SCHEMBL2490161 0.92 BRD4 (0.43) BRD4ABCB1ANO1KDM5AKDM5B
SCHEMBL753747 0.91 KDM5A (0.42) BRD4MAOBABCB1KDM5AKDM5B
SCHEMBL755553 0.90 BRD4 (0.41) BRD4MAOBABCB1ANO1KDM5A
SCHEMBL3432852 0.89 BRD4 (0.40) BRD4MAOBABCB1ANO1KDM5A
SCHEMBL16908921 0.88 BRD4 (0.39) BRD4MAOBPARP10ANO1KDM5A
SCHEMBL754597 0.87 BRD4 (0.39) BRD4MAOBABCB1ANO1KDM5A
SCHEMBL18531620 0.86 BRD4 (0.38) BRD4MAOBPARP10ANO1KDM5A
SCHEMBL754396 0.86 BRD4 (0.41) BRD4MAOBABCB1MAPK14LMNA
SCHEMBL752441 0.80 BRD4 (0.40) BRD4ANO1KDM5AKDM5BKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 709/4885PARP10 698/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI BRD4 427/4885MAOB 900/4885PARP10 551/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI BRD4 427/4885MAOB 900/4885PARP10 551/4885

“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.