SCHEMBL755553

SCHEMBL755553

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.41
MAPK14 Q16539 6/20 0.35
ABCB1 P08183 1/20 0.35
KMT2A Q03164 1/20 0.33
PPARA Q07869 1/20 0.33
ANO1 Q5XXA6 1/20 0.33
KDM5A P29375 3/20 0.33
KDM5B Q9UGL1 3/20 0.33
MAOB P27338 1/20 0.32
KDM4C Q9H3R0 2/20 0.32

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
SCHEMBL2490161 0.91 BRD4 (0.43) BRD4ABCB1PPARAANO1KDM5A
SCHEMBL16921596 0.91 BRD4 (0.43) BRD4ABCB1KMT2AANO1KDM5A
SCHEMBL3432852 0.90 BRD4 (0.40) BRD4ABCB1PPARAANO1KDM5A
SCHEMBL756684 0.90 BRD4 (0.42) BRD4MAPK14ABCB1ANO1KDM5A
SCHEMBL753747 0.89 KDM5A (0.42) BRD4ABCB1KMT2AKDM5AKDM5B
SCHEMBL754597 0.86 BRD4 (0.39) BRD4ABCB1KMT2AANO1KDM5A
SCHEMBL753097 0.85 BRD4 (0.42) BRD4MAPK14KMT2APPARAMAOB
SCHEMBL754396 0.84 BRD4 (0.41) BRD4MAPK14ABCB1KMT2AMAOB
SCHEMBL752167 0.83 BRD4 (0.34) BRD4MAPK14KMT2APPARAKDM5A
SCHEMBL752441 0.79 BRD4 (0.40) BRD4PPARAANO1KDM5AKDM5B

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 13 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-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
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-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 586/4885MAPK14 3701/4885ABCB1 1061/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI BRD4 427/4885MAPK14 3586/4885ABCB1 1500/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI BRD4 427/4885MAPK14 3586/4885ABCB1 1500/4885

“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.