SCHEMBL2490161

SCHEMBL2490161

Cn1ncnc1-c1oc2cc(C(=O)O)cc(OCc3ccc(F)cc3)c2c(=O)c1O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
KDM5A P29375 7/20 0.39
KDM4C Q9H3R0 7/20 0.39
KDM5B Q9UGL1 7/20 0.39
KDM2B Q8NHM5 3/20 0.39
PPARA Q07869 3/20 0.39
NFKB1 P19838 1/20 0.39
KDM4A O75164 2/20 0.38
ANO1 Q5XXA6 2/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
ABCB1 P08183 1/20 0.37
NR4A2 P43354 2/20 0.36
PTGER1 P34995 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
SCHEMBL16921596 0.93 BRD4 (0.43) BRD4KDM5AKDM4CKDM5BKDM2B
SCHEMBL756684 0.92 BRD4 (0.42) BRD4KDM5AKDM4CKDM5BKDM2B
SCHEMBL753747 0.92 KDM5A (0.42) BRD4KDM5AKDM5BLMNAABCB1
SCHEMBL755553 0.91 BRD4 (0.41) BRD4KDM5AKDM4CKDM5BPPARA
SCHEMBL3432852 0.89 BRD4 (0.40) BRD4KDM5AKDM4CKDM5BKDM2B
SCHEMBL754597 0.88 BRD4 (0.39) BRD4KDM5AKDM5BANO1ABCB1
SCHEMBL752441 0.88 BRD4 (0.40) BRD4KDM5AKDM4CKDM5BKDM2B
SCHEMBL754396 0.86 BRD4 (0.41) BRD4LMNAHTTABCB1
SCHEMBL18531618 0.86 BRD4 (0.39) BRD4KDM5AKDM4CKDM5BKDM2B
SCHEMBL752863 0.84 BRD4 (0.44) 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 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 586/4885KDM5A 415/4885KDM4C 334/4885
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.