SCHEMBL754750

SCHEMBL754750

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

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.32
MBOAT4 Q96T53 1/20 0.32
LRRK2 Q5S007 1/20 0.32
KDM5A P29375 3/20 0.31
KDM5B Q9UGL1 3/20 0.31
ALK Q9UM73 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4C Q9H3R0 2/20 0.31
PTGER1 P34995 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PPARA Q07869 1/20 0.30
BCL9 O00512 1/20 0.30
CTNNB1 P35222 1/20 0.30
POLB P06746 1/20 0.30
RECQL P46063 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 0.92 KDM5A (0.35) BRD4KDM5AKDM5BKDM4CPTGER1
SCHEMBL754704 0.91 FFAR4 (0.37) BRD4LRRK2KDM5AKDM5BCYP1A2
SCHEMBL752167 0.88 BRD4 (0.34) BRD4MBOAT4LRRK2KDM5AKDM5B
SCHEMBL752573 0.86 BRD4 (0.34) BRD4KDM5AKDM5BMEN1MAPT
SCHEMBL756376 0.80 FFAR4 (0.39) BRD4LRRK2KDM5AKDM5BCYP1A2
SCHEMBL752441 0.79 BRD4 (0.40) BRD4KDM5AKDM5BKDM4CPTGER1
SCHEMBL16908941 0.78 KDM5A (0.40) BRD4KDM5AKDM5BCYP1A2MAPT
SCHEMBL16908921 0.78 BRD4 (0.39) BRD4KDM5AKDM5BKDM4CPTGER1
SCHEMBL2489447 0.76 BRD4 (0.37) BRD4LRRK2KDM5AKDM5BMAPT
SCHEMBL753027 0.74 BRD4 (0.36) BRD4KDM5AKDM5BMEN1CYP1A2

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 427/4885MBOAT4 3588/4885LRRK2 803/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI BRD4 427/4885MBOAT4 3588/4885LRRK2 803/4885

“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.