SCHEMBL753418

SCHEMBL753418

CC(C)(C)N1CC(c2cc(CCc3ccccc3)ncn2)=C(O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.39
NAE1 Q13564 2/20 0.34
UBA3 Q8TBC4 2/20 0.34
LIPG Q9Y5X9 2/20 0.33
MAP2K7 O14733 1/20 0.32
IP6K1 Q92551 1/20 0.32
IP6K3 Q96PC2 1/20 0.32
IP6K2 Q9UHH9 1/20 0.32
AOC3 Q16853 1/20 0.31
PLA2G2A P14555 3/20 0.31
DAO P14920 1/20 0.30
PDE5A O76074 1/20 0.30
KDM4A O75164 1/20 0.30
KDM5A P29375 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
KDM5B Q9UGL1 1/20 0.30
GRN P28799 1/20 0.30
SORT1 Q99523 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL752280 0.85 LIPG (0.45) BACE1NAE1UBA3LIPGMAP2K7
SCHEMBL755642 0.85 BACE1 (0.37) BACE1NAE1UBA3LIPGMAP2K7
SCHEMBL752338 0.83 LIPG (0.39) BACE1NAE1UBA3LIPGMAP2K7
SCHEMBL752035 0.83 BACE1 (0.39) BACE1NAE1UBA3LIPGMAP2K7
SCHEMBL755672 0.81 BACE1 (0.40) BACE1NAE1UBA3LIPGMAP2K7
SCHEMBL752342 0.78 KMT2A (0.37) BACE1
SCHEMBL753054 0.75 LIPG (0.39) BACE1LIPGAOC3PLA2G2ADAO
SCHEMBL755033 0.72 CSNK1A1 (0.33) AOC3PLA2G2ADAO
SCHEMBL13754947 0.66 KCNH2 (0.56) BACE1MAP2K7IP6K1IP6K3IP6K2
SCHEMBL752132 0.65 LIPG (0.45) BACE1LIPGKDM4AKDM5AKDM4C

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
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 BACE1 1504/4885NAE1 314/4885UBA3 364/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI BACE1 1681/4885NAE1 212/4885UBA3 235/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI BACE1 1681/4885NAE1 212/4885UBA3 235/4885

“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.