SCHEMBL755081

SCHEMBL755081

Cn1ncnc1-c1cc(=O)c2c(OCc3ccc(F)cc3)cc(OS(=O)(=O)C(F)(F)F)cc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 8/20 0.49
ELANE P08246 6/20 0.49
L3MBTL1 Q9Y468 1/20 0.44
CTSG P08311 1/20 0.42
PRTN3 P24158 1/20 0.42
PPARG P37231 1/20 0.42
BRD4 O60885 1/20 0.41
ACHE P22303 2/20 0.38
BCHE P06276 1/20 0.38
F2RL3 Q96RI0 3/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
MAOB P27338 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL16921594 0.85 BRD4 (0.58) PLGELANEL3MBTL1PPARGBRD4
SCHEMBL16908927 0.84 BRD4 (0.47) PLGELANEL3MBTL1PPARGBRD4
SCHEMBL757274 0.83 BCHE (0.50) L3MBTL1BRD4ACHEBCHEF2RL3
SCHEMBL752863 0.83 BRD4 (0.44) PLGELANEL3MBTL1PPARGBRD4
SCHEMBL756808 0.82 AR (0.42) PLGELANECTSGPRTN3ACHE
SCHEMBL16921595 0.81 BRD4 (0.44) PLGELANEL3MBTL1PPARGBRD4
SCHEMBL753248 0.80 KDM5A (0.43) PLGELANEL3MBTL1PPARGBRD4
SCHEMBL753097 0.79 BRD4 (0.42) PLGELANEL3MBTL1PPARGBRD4
SCHEMBL753327 0.75 AR (0.47) ACHEBCHEABCG2MAOBKDM4E
SCHEMBL754322 0.74 BRD4 (0.39) BRD4ACHEBCHEMAOBKDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US 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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI PLG 4657/4885ELANE 3476/4885L3MBTL1 1368/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI PLG 4657/4885ELANE 3476/4885L3MBTL1 1368/4885

“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.