SCHEMBL753224

SCHEMBL753224

COC(=O)c1ccc(Oc2ccc(F)cc2)cn1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.54
FPR2 P25090 1/20 0.46
SCN9A Q15858 1/20 0.46
KCNH2 Q12809 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
P2RX3 P56373 4/20 0.43
MAPT P10636 1/20 0.43
CDK8 P49336 1/20 0.42
HPGD P15428 1/20 0.42
DYRK1A Q13627 1/20 0.41

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
SCHEMBL12719462 0.86 MAPK1 (0.56) MAPK1KDM4EL3MBTL1P2RX3CDK8
SCHEMBL24512735 0.84 P2RX3 (0.56) MAPK1HRH3KDM4EL3MBTL1P2RX3
SCHEMBL10163267 0.84 MAPK1 (0.54) MAPK1KDM4EL3MBTL1P2RX3MAPT
SCHEMBL424744 0.83 MAPK1 (0.65) MAPK1KDM4EL3MBTL1MAPTHPGD
SCHEMBL29614576 0.83 MAPK1 (0.65) MAPK1KDM4EL3MBTL1MAPTHPGD
SCHEMBL753336 0.82 P4HTM (0.53) MAPK1SCN9AKCNH2HRH3KDM4E
SCHEMBL21906267 0.82 LMNA (0.48) MAPK1FPR2SCN9AHRH3KDM4E
SCHEMBL22529696 0.81 MAPK1 (0.54) MAPK1KDM4EL3MBTL1P2RX3MAPT
SCHEMBL30827080 0.81 MAPK1 (0.54) MAPK1KDM4EL3MBTL1P2RX3MAPT
SCHEMBL27943516 0.81 OPRM1 (0.52) FPR2SCN9AKCNH2HRH3

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
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-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
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 MAPK1 3173/4885FPR2 3796/4885SCN9A 4036/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MAPK1 3073/4885FPR2 4149/4885SCN9A 4050/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MAPK1 3073/4885FPR2 4149/4885SCN9A 4050/4885

“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.