SCHEMBL753094

SCHEMBL753094

COc1cc(Cc2ccc(C(=O)C3=C(O)C(=O)N(C(C)C)C3)o2)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.34
GPR52 Q9Y2T5 1/20 0.33
CACNA1H O95180 1/20 0.33
HTT P42858 1/20 0.33
APLNR P35414 1/20 0.33
ASAH1 Q13510 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.32
KCNH2 Q12809 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL754262 0.87 LIPG (0.41)
SCHEMBL752749 0.86 KCNH2 (0.34) HTTKCNH2
SCHEMBL752004 0.85 ALDH1A1 (0.40) HTT
SCHEMBL765536 0.83 ALDH1A1 (0.36)
SCHEMBL765859 0.81 LIPG (0.37) HTT
SCHEMBL755448 0.81 P2RX3 (0.41) HTT
SCHEMBL752986 0.80 KCNH2 (0.34) KCNH2TMEM97SIGMAR1
SCHEMBL753182 0.79 HTT (0.37) HTT
SCHEMBL16921574 0.79 ALDH1A1 (0.34) KCNH2
SCHEMBL752967 0.78 POLB (0.38) HTT

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 PDE10A 4511/4885GPR52 3034/4885CACNA1H 4562/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI PDE10A 3902/4885GPR52 3035/4885CACNA1H 4842/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI PDE10A 3902/4885GPR52 3035/4885CACNA1H 4842/4885

“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.