SCHEMBL752280

SCHEMBL752280

CN1CC(c2cc(CCc3ccccc3)ncn2)=C(O)C1=O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 9/20 0.45
BACE1 P56817 5/20 0.43
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
KCNH2 Q12809 1/20 0.34
MAP2K7 O14733 1/20 0.34
NAE1 Q13564 2/20 0.33
UBA3 Q8TBC4 2/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL753054 0.89 LIPG (0.39) LIPGBACE1ALDH1A1KCNH2
SCHEMBL752338 0.86 LIPG (0.39) LIPGBACE1MAP2K7NAE1UBA3
SCHEMBL752035 0.85 BACE1 (0.39) LIPGBACE1MAP2K7NAE1UBA3
SCHEMBL753418 0.85 BACE1 (0.39) LIPGBACE1MAP2K7NAE1UBA3
SCHEMBL755672 0.84 BACE1 (0.40) LIPGBACE1MAP2K7NAE1UBA3
SCHEMBL755642 0.84 BACE1 (0.37) LIPGBACE1ALDH1A1MAP2K7NAE1
SCHEMBL752342 0.81 KMT2A (0.37) BACE1ALDH1A1
SCHEMBL755973 0.81 PKM (0.41) LIPGALDH1A1TSHR
SCHEMBL752132 0.79 LIPG (0.45) LIPGBACE1ALDH1A1TSHRKCNH2
SCHEMBL754337 0.78 LIPG (0.46) LIPGBACE1ALDH1A1TSHRKCNH2

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 LIPG 3541/4885BACE1 1504/4885ALDH1A1 658/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LIPG 4229/4885BACE1 1681/4885ALDH1A1 424/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LIPG 4229/4885BACE1 1681/4885ALDH1A1 424/4885

“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.