SCHEMBL753886

SCHEMBL753886

COc1cccc2oc(-c3ccccn3)c(O)c(=O)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.51
CYP3A4 P08684 6/20 0.51
MEN1 O00255 4/20 0.51
HPGD P15428 4/20 0.51
KMT2A Q03164 4/20 0.51
HSD17B10 Q99714 4/20 0.51
ALDH1A1 P00352 3/20 0.51
MAOA P21397 2/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HCRTR1 O43613 1/20 0.48
POLB P06746 1/20 0.48
ESR1 P03372 1/20 0.47
KDM5A P29375 1/20 0.47
ESR2 Q92731 1/20 0.47
NQO1 P15559 1/20 0.46
TP53 P04637 4/20 0.44
MAPT P10636 4/20 0.44
LMNA P02545 3/20 0.44
ABCG2 Q9UNQ0 2/20 0.44

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
SCHEMBL16921587 0.83 KDM4E (0.46) KDM4ECYP3A4MEN1HPGDKMT2A
SCHEMBL17922021 0.83 MEN1 (0.62) KDM4ECYP3A4MEN1HPGDKMT2A
SCHEMBL16925402 0.81 ALDH1A1 (0.49) KDM4ECYP3A4MEN1HPGDKMT2A
SCHEMBL755546 0.81 BCHE (0.44) KDM4ECYP3A4MEN1HPGDKMT2A
SCHEMBL4649646 0.80 KDM4E (0.67) KDM4ECYP3A4MEN1HPGDKMT2A
SCHEMBL31675988 0.80 KDM4E (0.67) KDM4ECYP3A4MEN1HPGDKMT2A
SCHEMBL7660030 0.73 NOX4 (0.76) KDM4ECYP3A4MEN1HPGDKMT2A
SCHEMBL15619755 0.72 KDM4E (0.55) KDM4ECYP3A4MEN1HPGDKMT2A
SCHEMBL25023089 0.71 MAPT (0.62) KDM4ECYP3A4MEN1HPGDKMT2A
SCHEMBL7657022 0.70 KDM4E (0.43) KDM4ECYP3A4MEN1HPGDKMT2A

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
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-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
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP 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-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 KDM4E 336/4885CYP3A4 475/4885MEN1 4766/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KDM4E 382/4885CYP3A4 481/4885MEN1 4775/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KDM4E 382/4885CYP3A4 481/4885MEN1 4775/4885

“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.