SCHEMBL755368

SCHEMBL755368

CC(C)N1CC(c2ccc(Oc3ccc(F)cc3)nn2)=C(O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.39
LIPG Q9Y5X9 1/20 0.35
SCN4A P35499 3/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
P2RX3 P56373 1/20 0.33
IDH1 O75874 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
EGLN1 Q9GZT9 1/20 0.33
KCNH2 Q12809 1/20 0.33
GHSR Q92847 1/20 0.33
MMP13 P45452 2/20 0.31
MGLL Q99685 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL751906 0.89 HRH3 (0.37) HRH3LIPGIDH1MEN1KMT2A
SCHEMBL754174 0.85 LIPG (0.46) HRH3LIPGSCN4AALDH1A1L3MBTL1
SCHEMBL2486824 0.83 HRH3 (0.43) HRH3LIPGALDH1A1L3MBTL1IDH1
SCHEMBL756168 0.83 IDH1 (0.38) HRH3LIPGSCN4AALDH1A1L3MBTL1
SCHEMBL757191 0.77 HRH3 (0.40) HRH3LIPGSCN4AALDH1A1L3MBTL1
SCHEMBL752929 0.75 CYP4F2 (0.44) HRH3LIPGMMP13
SCHEMBL753739 0.73 LIPG (0.43) HRH3LIPGMEN1KMT2AEGLN1
SCHEMBL754568 0.73 ACACB (0.40) HRH3LIPGALDH1A1IDH1SMN1; SMN2
SCHEMBL751851 0.72 CYP11B1 (0.32) LIPGALDH1A1IDH1SMN1; SMN2MEN1
SCHEMBL753023 0.72 HRH3 (0.41) HRH3LIPGALDH1A1IDH1EGLN1

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-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 HRH3 2859/4885LIPG 3541/4885SCN4A 3942/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI HRH3 2614/4885LIPG 4229/4885SCN4A 4087/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI HRH3 2614/4885LIPG 4229/4885SCN4A 4087/4885

“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.