SCHEMBL2485294

SCHEMBL2485294

O=c1c(O)c(-c2nc[nH]n2)oc2cccc(OCc3ccc(F)cc3)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.41
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
BRD4 O60885 1/20 0.38
KMT2A Q03164 3/20 0.38
RAB9A P51151 2/20 0.38
SGMS2 Q8NHU3 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
MAOB P27338 2/20 0.37
EDNRA P25101 1/20 0.37
MAOA P21397 1/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37

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 0.87 KMT2A (0.44) ABCB1BCHEACHEBRD4KMT2A
SCHEMBL757327 0.84 BRD4 (0.47) ABCB1BCHEACHEBRD4KMT2A
SCHEMBL753195 0.81 BRD4 (0.39) ABCB1BCHEACHEBRD4KMT2A
SCHEMBL755546 0.80 BCHE (0.44) ABCB1BCHEACHEBRD4KMT2A
SCHEMBL754620 0.80 ANO1 (0.48) ACHEMAOBMAOALMNATP53
SCHEMBL2486552 0.79 BCHE (0.53) ABCB1BCHEACHEBRD4KMT2A
SCHEMBL754396 0.77 BRD4 (0.41) ABCB1BCHEACHEBRD4KMT2A
SCHEMBL27651725 0.74 MEN1 (0.60) ABCB1BCHEACHEKMT2AABCG2
SCHEMBL16151142 0.70 BCHE (0.56) ABCB1BCHEACHEKMT2AABCG2
SCHEMBL16921591 0.69 KMT2A (0.43) BCHEACHEKMT2ARAB9ASGMS2

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 9 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-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 ABCB1 1061/4885BCHE 2050/4885ACHE 2914/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ABCB1 1500/4885BCHE 1478/4885ACHE 1249/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ABCB1 1500/4885BCHE 1478/4885ACHE 1249/4885

“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.