SCHEMBL752441

SCHEMBL752441

COCOc1c(-c2ncnn2C)oc2cc(C(=O)O)cc(OCc3ccc(F)cc3)c2c1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
KDM5A P29375 7/20 0.38
KDM4C Q9H3R0 7/20 0.38
KDM5B Q9UGL1 7/20 0.38
PPARG P37231 1/20 0.37
KDM2B Q8NHM5 3/20 0.36
PPARA Q07869 3/20 0.36
KDM4A O75164 2/20 0.36
ANO1 Q5XXA6 2/20 0.35
ALKBH1 Q13686 1/20 0.35
XDH P47989 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
NFKB1 P19838 1/20 0.35
PTGER1 P34995 1/20 0.34

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
SCHEMBL16908941 0.93 KDM5A (0.40) BRD4KDM5AKDM4CKDM5BPPARG
SCHEMBL16908921 0.93 BRD4 (0.39) BRD4KDM5AKDM4CKDM5BPPARG
SCHEMBL18531618 0.92 BRD4 (0.39) BRD4KDM5AKDM4CKDM5BPPARG
SCHEMBL2489447 0.90 BRD4 (0.37) BRD4KDM5AKDM4CKDM5BPPARG
SCHEMBL2490161 0.88 BRD4 (0.43) BRD4KDM5AKDM4CKDM5BKDM2B
SCHEMBL18531619 0.86 KDM5A (0.38) BRD4KDM5AKDM5BPPARGLMNA
SCHEMBL18531620 0.85 BRD4 (0.38) BRD4KDM5AKDM4CKDM5BPPARG
SCHEMBL753782 0.83 KDM5A (0.35) BRD4KDM5AKDM4CKDM5BKDM2B
SCHEMBL753747 0.81 KDM5A (0.42) BRD4KDM5AKDM5BLMNA
SCHEMBL16921596 0.81 BRD4 (0.43) BRD4KDM5AKDM4CKDM5BKDM2B

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-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-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 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 427/4885KDM5A 350/4885KDM4C 353/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI BRD4 427/4885KDM5A 350/4885KDM4C 353/4885

“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.