SCHEMBL754930

SCHEMBL754930

CN1CC(c2cc(OCc3ccccc3F)ncn2)=C(O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.38
PDE4A P27815 1/20 0.37
LIPG Q9Y5X9 3/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GLP1R P43220 1/20 0.36
MAOB P27338 2/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
KCNH2 Q12809 1/20 0.34
PARP15 Q460N3 2/20 0.34
PARP10 Q53GL7 2/20 0.34
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 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
SCHEMBL752324 0.87 GPR84 (0.37) GPR84PDE4AMEN1KMT2ACYP1A2
SCHEMBL755973 0.85 PKM (0.41) LIPGALDH1A1
SCHEMBL753011 0.83 JAK2 (0.45) LIPGMAOB
SCHEMBL752750 0.78 NPC1 (0.50) GPR84LIPGCYP1A2CYP2C9CYP2C19
SCHEMBL754565 0.77 LIPG (0.35) LIPGALDH1A1SMN1; SMN2
SCHEMBL2486304 0.73 GPR84 (0.36) GPR84PDE4AMAOBKCNH2PARP15
SCHEMBL756220 0.72 JAK2 (0.43) LIPGMAOBKCNH2
SCHEMBL751416 0.72 JAK2 (0.44) LIPGMEN1KMT2AMAOBALDH1A1
SCHEMBL755319 0.71 JAK2 (0.43) LIPGKMT2AMAOBALDH1A1SMN1; SMN2
SCHEMBL754587 0.71 JAK2 (0.41) LIPGCYP1A2CYP2C9CYP2C19ALDH1A1

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 GPR84 2224/4885PDE4A 3515/4885LIPG 3541/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI GPR84 1763/4885PDE4A 2683/4885LIPG 4229/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI GPR84 1763/4885PDE4A 2683/4885LIPG 4229/4885

“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.