SCHEMBL752167

SCHEMBL752167

CN(C)C(=O)c1ccc(OCc2ccc(F)cc2)c2c(=O)c(O)c(-c3ncnn3C)oc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
MBOAT4 Q96T53 1/20 0.33
CYP1A2 P05177 2/20 0.33
MAOB P27338 2/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
MAOA P21397 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PPARA Q07869 1/20 0.32
POLB P06746 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 2/20 0.32
RAB9A P51151 1/20 0.32
LRRK2 Q5S007 1/20 0.32
MAPT P10636 2/20 0.32
KDM5A P29375 2/20 0.32
KDM5B Q9UGL1 2/20 0.32
MEN1 O00255 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 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
SCHEMBL756376 0.90 FFAR4 (0.39) BRD4CYP1A2MAOBCYP1A1CYP1B1
SCHEMBL754750 0.88 BRD4 (0.32) BRD4MBOAT4CYP1A2L3MBTL1PPARA
SCHEMBL753027 0.86 BRD4 (0.36) BRD4CYP1A2CYP1A1CYP1B1POLB
SCHEMBL755553 0.83 BRD4 (0.41) BRD4MAOBPPARAKMT2AKDM5A
SCHEMBL754396 0.82 BRD4 (0.41) BRD4MAOBMAOAPOLBRECQL
SCHEMBL753782 0.79 KDM5A (0.35) BRD4KDM5AKDM5BTBXA2RPTGER1
SCHEMBL754704 0.79 FFAR4 (0.37) BRD4CYP1A2KMT2ARAB9ALRRK2
SCHEMBL3432852 0.77 BRD4 (0.40) BRD4MAOBPPARAPOLBKDM5A
SCHEMBL16921596 0.77 BRD4 (0.43) BRD4MAOBMAOAKMT2AKDM5A
SCHEMBL2490161 0.77 BRD4 (0.43) BRD4PPARAKDM5AKDM5BPTGER1

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 17 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-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 586/4885MBOAT4 3970/4885CYP1A2 1120/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI BRD4 427/4885MBOAT4 3588/4885CYP1A2 875/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI BRD4 427/4885MBOAT4 3588/4885CYP1A2 875/4885

“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.