SCHEMBL753248

SCHEMBL753248

COC(=O)c1cc(OCc2ccc(F)cc2)c2c(=O)cc(-c3ncnn3C)oc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.43
KDM5B Q9UGL1 2/20 0.43
BRD4 O60885 1/20 0.43
PTPN7 P35236 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
KCNA5 P22460 1/20 0.37
KCNH2 Q12809 1/20 0.37
PPARG P37231 1/20 0.37
MAPT P10636 3/20 0.37
PLG P00747 2/20 0.37
ELANE P08246 2/20 0.37
AR P10275 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL16921595 0.91 BRD4 (0.44) KDM5AKDM5BBRD4L3MBTL1BCHE
SCHEMBL752863 0.91 BRD4 (0.44) KDM5AKDM5BBRD4L3MBTL1BCHE
SCHEMBL753097 0.89 BRD4 (0.42) BRD4L3MBTL1BCHEACHEPPARG
SCHEMBL16908927 0.87 BRD4 (0.47) BRD4L3MBTL1BCHEACHEKCNA5
SCHEMBL16921594 0.86 BRD4 (0.58) BRD4L3MBTL1BCHEACHEPPARG
SCHEMBL753747 0.85 KDM5A (0.42) KDM5AKDM5BBRD4PTPN7L3MBTL1
SCHEMBL757274 0.84 BCHE (0.50) BRD4L3MBTL1BCHEACHEMAPT
SCHEMBL16908941 0.82 KDM5A (0.40) KDM5AKDM5BBRD4PTPN7L3MBTL1
SCHEMBL18531619 0.80 KDM5A (0.38) KDM5AKDM5BBRD4PTPN7L3MBTL1
SCHEMBL755081 0.80 PLG (0.49) BRD4L3MBTL1BCHEACHEPPARG

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 11 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

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 KDM5A 350/4885KDM5B 638/4885BRD4 427/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KDM5A 350/4885KDM5B 638/4885BRD4 427/4885

“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.