SCHEMBL2489447

SCHEMBL2489447

COCNC(=O)c1cc(OCc2ccc(F)cc2)c2c(=O)c(OCOC)c(-c3ncnn3C)oc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
LRRK2 Q5S007 1/20 0.33
KDM5A P29375 2/20 0.33
KDM5B Q9UGL1 2/20 0.33
PPARG P37231 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.31
MAOB P27338 3/20 0.31
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 0.31
APH1A Q96BI3 2/20 0.31
PSENEN Q9NZ42 2/20 0.31
NOX1 Q9Y5S8 1/20 0.31
GRM5 P41594 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
PLA2G1B P04054 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31

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 0.91 KDM5A (0.40) BRD4KDM5AKDM5BPPARGSMN1; SMN2
SCHEMBL754597 0.90 BRD4 (0.39) BRD4LRRK2KDM5AKDM5BMAPT
SCHEMBL752441 0.90 BRD4 (0.40) BRD4KDM5AKDM5BPPARGKDM4C
SCHEMBL16908921 0.89 BRD4 (0.39) BRD4KDM5AKDM5BPPARGMAOB
SCHEMBL18531619 0.84 KDM5A (0.38) BRD4KDM5AKDM5BPPARGSMN1; SMN2
SCHEMBL18531618 0.83 BRD4 (0.39) BRD4KDM5AKDM5BPPARGKDM4C
SCHEMBL18531620 0.82 BRD4 (0.38) BRD4KDM5AKDM5BPPARGMAOB
SCHEMBL753747 0.80 KDM5A (0.42) BRD4KDM5AKDM5BSMN1; SMN2MAPT
SCHEMBL16921596 0.78 BRD4 (0.43) BRD4KDM5AKDM5BMAOBKDM4C
SCHEMBL2490161 0.78 BRD4 (0.43) BRD4KDM5AKDM5BKDM4C

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
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-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
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 586/4885LRRK2 914/4885KDM5A 415/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI BRD4 427/4885LRRK2 803/4885KDM5A 350/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI BRD4 427/4885LRRK2 803/4885KDM5A 350/4885

“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.