SCHEMBL754174

SCHEMBL754174

CN1CC(c2ccc(Oc3ccc(F)cc3)nn2)=C(O)C1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 3/20 0.46
MMP13 P45452 3/20 0.36
HRH3 Q9Y5N1 5/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SCN4A P35499 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
P2RX3 P56373 1/20 0.33
HSPB1 P04792 1/20 0.32
EGLN1 Q9GZT9 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
SCHEMBL753739 0.88 LIPG (0.43) LIPGHRH3MEN1KMT2AEGLN1
SCHEMBL755368 0.85 HRH3 (0.39) LIPGMMP13HRH3MEN1KMT2A
SCHEMBL754214 0.82 LIPG (0.45) LIPGMMP13HRH3MEN1KMT2A
SCHEMBL752971 0.82 LIPG (0.49) LIPGMMP13HRH3SCN4AALDH1A1
SCHEMBL755290 0.76 LIPG (0.50) LIPGMMP13HRH3SCN4AALDH1A1
SCHEMBL754314 0.74 LIPG (0.48) LIPGHRH3
SCHEMBL754428 0.71 LIPG (0.48) LIPGL3MBTL1
SCHEMBL764564 0.70 HRH3 (0.35) LIPGHRH3MEN1KMT2A
SCHEMBL752339 0.70 LIPG (0.42) LIPGALDH1A1
SCHEMBL752853 0.70 LIPG (0.42) LIPGHRH3KMT2AALDH1A1EGLN1

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 LIPG 3541/4885MMP13 4437/4885HRH3 2859/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LIPG 4229/4885MMP13 3726/4885HRH3 2614/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LIPG 4229/4885MMP13 3726/4885HRH3 2614/4885

“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.