SCHEMBL756376

SCHEMBL756376

COC(=O)c1ccc(OCc2ccc(F)cc2)c2c(=O)c(O)c(-c3ncnn3C)oc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.39
KDM5A P29375 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35
BRD4 O60885 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.33
STAT3 P40763 1/20 0.33
LRRK2 Q5S007 1/20 0.33
MAOB P27338 3/20 0.33
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL752167 0.90 BRD4 (0.34) KDM5AKDM5BCYP1A1CYP1A2CYP1B1
SCHEMBL754704 0.89 FFAR4 (0.37) FFAR4KDM5AKDM5BCYP1A2BRD4
SCHEMBL753027 0.86 BRD4 (0.36) FFAR4KDM5AKDM5BCYP1A1CYP1A2
SCHEMBL753747 0.82 KDM5A (0.42) FFAR4KDM5AKDM5BCYP1A2BRD4
SCHEMBL17922023 0.82 FFAR4 (0.39) FFAR4KDM5AKDM5BCYP1A1CYP1A2
SCHEMBL754396 0.82 BRD4 (0.41) BRD4ALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL753782 0.81 KDM5A (0.35) KDM5AKDM5BBRD4
SCHEMBL754750 0.80 BRD4 (0.32) KDM5AKDM5BCYP1A2BRD4SMN1; SMN2
SCHEMBL16921596 0.77 BRD4 (0.43) KDM5AKDM5BBRD4KMT2AMAOB
SCHEMBL2490161 0.77 BRD4 (0.43) KDM5AKDM5BBRD4

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 17 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-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 FFAR4 4550/4885KDM5A 415/4885KDM5B 650/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI FFAR4 4452/4885KDM5A 350/4885KDM5B 638/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI FFAR4 4452/4885KDM5A 350/4885KDM5B 638/4885

“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.