SCHEMBL757267

SCHEMBL757267

CCOC(=O)C(O)=Cc1cc(CCc2ccc(F)cc2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 4/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
SLC2A1 P11166 1/20 0.35
SLC2A4 P14672 1/20 0.35
CES2 O00748 1/20 0.35

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
SCHEMBL757266 1.00 NR3C2 (0.44) NR3C2MAPTMEN1KMT2ALMNA
SCHEMBL13754941 0.89 MEN1 (0.43) NR3C2MAPTMEN1KMT2AALDH1A1
SCHEMBL753117 0.84 MAPT (0.42) NR3C2MAPTMEN1KMT2ALMNA
SCHEMBL753116 0.84 MAPT (0.42) NR3C2MAPTMEN1KMT2ALMNA
SCHEMBL754258 0.80 MAPT (0.47) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL754257 0.80 MAPT (0.47) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL18590767 0.77 LMNA (0.42) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL753245 0.76 MAPT (0.46) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL753244 0.76 MAPT (0.46) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL755376 0.76 MAPT (0.41) MAPTMEN1KMT2ALMNACYP1A2

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
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

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 NR3C2 1508/4885MAPT 4635/4885MEN1 4766/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI NR3C2 1110/4885MAPT 4426/4885MEN1 4775/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI NR3C2 1110/4885MAPT 4426/4885MEN1 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.