SCHEMBL755290

SCHEMBL755290

CN1CC(c2ncc(Oc3ccc(F)cc3)cn2)=C(O)C1=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 6/20 0.50
HRH3 Q9Y5N1 4/20 0.37
EGLN1 Q9GZT9 1/20 0.36
SCN9A Q15858 1/20 0.35
MMP13 P45452 1/20 0.35
SCN4A P35499 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
LTA4H P09960 1/20 0.35
MGLL Q99685 1/20 0.34
IDH1 O75874 3/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL754703 0.87 LIPG (0.47) LIPGHRH3EGLN1ALDH1A1
SCHEMBL752971 0.86 LIPG (0.49) LIPGHRH3EGLN1SCN9AMMP13
SCHEMBL757191 0.84 HRH3 (0.40) LIPGHRH3EGLN1SCN9ASCN4A
SCHEMBL754596 0.80 LIPG (0.42) LIPGALDH1A1KCNH2
SCHEMBL754214 0.80 LIPG (0.45) LIPGHRH3EGLN1MMP13KDM4E
SCHEMBL754174 0.76 LIPG (0.46) LIPGHRH3EGLN1MMP13SCN4A
SCHEMBL754314 0.75 LIPG (0.48) LIPGHRH3
SCHEMBL754428 0.75 LIPG (0.48) LIPGLTA4HIDH1
SCHEMBL755270 0.72 HRH3 (0.38) LIPGHRH3EGLN1MMP13ALDH1A1
SCHEMBL756168 0.71 IDH1 (0.38) LIPGHRH3EGLN1SCN9ASCN4A

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 9 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
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 LIPG 3541/4885HRH3 2859/4885EGLN1 2565/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LIPG 4229/4885HRH3 2614/4885EGLN1 2916/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LIPG 4229/4885HRH3 2614/4885EGLN1 2916/4885

“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.