SCHEMBL753195

SCHEMBL753195

Cn1cnc(-c2oc3cccc(OCc4ccc(F)cc4)c3c(=O)c2O)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
POLB P06746 2/20 0.38
RECQL P46063 1/20 0.38
EDNRA P25101 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
ABCB1 P08183 1/20 0.36
SGMS2 Q8NHU3 1/20 0.36
MAOB P27338 3/20 0.35
F2RL3 Q96RI0 2/20 0.35
MAOA P21397 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HPD P32754 1/20 0.34
LMNA P02545 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
SCHEMBL2486966 0.84 KMT2A (0.44) BRD4POLBEDNRABCHEACHE
SCHEMBL2485294 0.81 ABCB1 (0.41) BRD4POLBEDNRABCHEACHE
SCHEMBL754396 0.80 BRD4 (0.41) BRD4POLBRECQLEDNRABCHE
SCHEMBL752572 0.80 BCHE (0.50) BRD4POLBRECQLBCHEACHE
SCHEMBL757327 0.80 BRD4 (0.47) BRD4POLBEDNRABCHEACHE
SCHEMBL755546 0.78 BCHE (0.44) BRD4POLBEDNRABCHEACHE
SCHEMBL756552 0.72 ABCG2 (0.35) BRD4ABCB1MAOAKMT2AMEN1
SCHEMBL27651725 0.72 MEN1 (0.60) EDNRABCHEACHEABCB1MAOB
SCHEMBL16921596 0.70 BRD4 (0.43) BRD4ABCB1MAOBMAOAKMT2A
SCHEMBL2490161 0.70 BRD4 (0.43) BRD4ABCB1LMNA

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 BRD4 586/4885POLB 89/4885RECQL 595/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI BRD4 427/4885POLB 107/4885RECQL 570/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI BRD4 427/4885POLB 107/4885RECQL 570/4885

“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.