SCHEMBL756552

SCHEMBL756552

Cn1ncnc1-c1oc2cccc(OCCc3ccc(F)cc3)c2c(=O)c1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.35
LMNA P02545 2/20 0.35
ABCB1 P08183 1/20 0.34
BCL9 O00512 7/20 0.33
CTNNB1 P35222 7/20 0.33
TP53 P04637 3/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
CYP3A4 P08684 2/20 0.32
HPGD P15428 2/20 0.32
KMT2A Q03164 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAOA P21397 1/20 0.32
USP2 O75604 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
BRD4 O60885 1/20 0.32
NMT2 O60551 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
SCHEMBL754396 0.91 BRD4 (0.41) LMNAABCB1TP53MAPTKDM4E
SCHEMBL751368 0.87 TP53 (0.35) LMNAABCB1TP53MAPTKDM4E
SCHEMBL753327 0.80 AR (0.47) ABCG2LMNATP53MAPTKDM4E
SCHEMBL2490161 0.78 BRD4 (0.43) LMNAABCB1BRD4
SCHEMBL16921596 0.78 BRD4 (0.43) LMNAABCB1MEN1KMT2AMAOA
SCHEMBL753747 0.77 KDM5A (0.42) LMNAABCB1MAPTKDM4ECYP3A4
SCHEMBL753027 0.77 BRD4 (0.36) LMNAMAPTKDM4EMEN1KMT2A
SCHEMBL755553 0.76 BRD4 (0.41) ABCB1KMT2ABRD4
SCHEMBL756376 0.74 FFAR4 (0.39) MAPTHPGDKMT2AALDH1A1MAOA
SCHEMBL754597 0.74 BRD4 (0.39) ABCG2ABCB1MAPTMEN1KMT2A

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 ABCG2 1450/4885LMNA 2825/4885ABCB1 1061/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ABCG2 1609/4885LMNA 2945/4885ABCB1 1500/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ABCG2 1609/4885LMNA 2945/4885ABCB1 1500/4885

“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.