SCHEMBL752863

SCHEMBL752863

Cn1ncnc1-c1cc(=O)c2c(OCc3ccc(F)cc3)cc(C(=O)O)cc2o1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
KDM5A P29375 7/20 0.40
KDM4C Q9H3R0 7/20 0.40
KDM5B Q9UGL1 7/20 0.40
KDM2B Q8NHM5 3/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 2/20 0.40
KDM4A O75164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
PLG P00747 2/20 0.38
ELANE P08246 2/20 0.38
NFKB1 P19838 1/20 0.38
NR4A2 P43354 2/20 0.37

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
SCHEMBL16921595 0.93 BRD4 (0.44) BRD4L3MBTL1BCHEACHEKDM5A
SCHEMBL753248 0.91 KDM5A (0.43) BRD4L3MBTL1BCHEACHEKDM5A
SCHEMBL753097 0.91 BRD4 (0.42) BRD4L3MBTL1BCHEACHEPPARG
SCHEMBL16908927 0.89 BRD4 (0.47) BRD4L3MBTL1BCHEACHEPPARG
SCHEMBL16921594 0.88 BRD4 (0.58) BRD4L3MBTL1BCHEACHEPPARG
SCHEMBL757274 0.86 BCHE (0.50) BRD4L3MBTL1BCHEACHEKDM4E
SCHEMBL2490161 0.84 BRD4 (0.43) BRD4KDM5AKDM4CKDM5BKDM2B
SCHEMBL755081 0.83 PLG (0.49) BRD4L3MBTL1BCHEACHEPPARG
SCHEMBL752441 0.81 BRD4 (0.40) BRD4KDM5AKDM4CKDM5BKDM2B
SCHEMBL18531618 0.80 BRD4 (0.39) 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 11 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
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

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 427/4885L3MBTL1 1368/4885BCHE 1478/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI BRD4 427/4885L3MBTL1 1368/4885BCHE 1478/4885

“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.