SCHEMBL752573

SCHEMBL752573

COCOc1c(-c2ncnn2C)oc2c(Br)ccc(OCc3ccc(F)cc3)c2c1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
MAPK14 Q16539 6/20 0.34
POLB P06746 3/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PTGER1 P34995 1/20 0.33
BCL9 O00512 1/20 0.32
CTNNB1 P35222 1/20 0.32
RECQL P46063 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
STAT3 P40763 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PKM P14618 1/20 0.30
NTSR1 P30989 1/20 0.30
MCHR1 Q99705 1/20 0.30

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
SCHEMBL753782 0.88 KDM5A (0.35) BRD4PTGER1KDM5AKDM5B
SCHEMBL754704 0.87 FFAR4 (0.37) BRD4RXFP1PTGER1KMT2AMAPT
SCHEMBL754750 0.86 BRD4 (0.32) BRD4POLBPTGER1BCL9CTNNB1
SCHEMBL753027 0.86 BRD4 (0.36) BRD4MAPK14POLBRXFP1PTGER1
SCHEMBL752441 0.79 BRD4 (0.40) BRD4PTGER1LMNAHTTKDM5A
SCHEMBL754322 0.79 BRD4 (0.39) BRD4MAPK14POLBRXFP1PTGER1
SCHEMBL16908941 0.78 KDM5A (0.40) BRD4MAPK14RXFP1KMT2AMAPT
SCHEMBL16908921 0.78 BRD4 (0.39) BRD4MAPK14PTGER1KDM5AKDM5B
SCHEMBL2489447 0.76 BRD4 (0.37) BRD4MAPTSMN1; SMN2KDM5AKDM5B
SCHEMBL756376 0.75 FFAR4 (0.39) BRD4RXFP1KMT2AMAPTSTAT3

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 10 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI BRD4 427/4885MAPK14 3586/4885POLB 107/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI BRD4 427/4885MAPK14 3586/4885POLB 107/4885

“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.