SCHEMBL754704

SCHEMBL754704

COCOc1c(-c2ncnn2C)oc2c(C(=O)OC)ccc(OCc3ccc(F)cc3)c2c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.37
KDM5A P29375 2/20 0.37
KDM5B Q9UGL1 2/20 0.37
LRRK2 Q5S007 1/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
BRD4 O60885 1/20 0.33
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.32
STAT3 P40763 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL753782 0.93 KDM5A (0.35) KDM5AKDM5BBRD4PTGER1KDM4C
SCHEMBL754750 0.91 BRD4 (0.32) KDM5AKDM5BLRRK2MAPTSMN1; SMN2
SCHEMBL756376 0.89 FFAR4 (0.39) FFAR4KDM5AKDM5BLRRK2MAPT
SCHEMBL752573 0.87 BRD4 (0.34) KDM5AKDM5BMAPTALDH1A1SMN1; SMN2
SCHEMBL16908941 0.83 KDM5A (0.40) FFAR4KDM5AKDM5BMAPTALDH1A1
SCHEMBL752441 0.79 BRD4 (0.40) KDM5AKDM5BBRD4LMNAPTGER1
SCHEMBL16908921 0.79 BRD4 (0.39) KDM5AKDM5BBRD4PTGER1KDM4C
SCHEMBL752167 0.79 BRD4 (0.34) KDM5AKDM5BLRRK2MAPTSMN1; SMN2
SCHEMBL2489447 0.78 BRD4 (0.37) KDM5AKDM5BLRRK2MAPTSMN1; SMN2
SCHEMBL18531619 0.77 KDM5A (0.38) KDM5AKDM5BMAPTALDH1A1SMN1; SMN2

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
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
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 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.