SCHEMBL2486552

SCHEMBL2486552

O=c1cc(-c2nc[nH]n2)oc2cccc(OCc3ccc(F)cc3)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.53
ACHE P22303 1/20 0.53
AR P10275 3/20 0.47
ABCG2 Q9UNQ0 4/20 0.44
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BRD4 O60885 1/20 0.42
HPGD P15428 2/20 0.41
KDM4E B2RXH2 3/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 2/20 0.40
ABCB1 P08183 2/20 0.40
CNR2 P34972 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PLG P00747 2/20 0.39

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
SCHEMBL6807340 0.86 BCHE (0.57) BCHEACHEARABCG2MAOB
SCHEMBL756733 0.83 BCHE (0.49) BCHEACHEARABCG2MAOB
SCHEMBL752572 0.80 BCHE (0.50) BCHEACHEARABCG2MAOB
SCHEMBL2485294 0.79 ABCB1 (0.41) BCHEACHEABCG2MAOBMAOA
SCHEMBL757274 0.76 BCHE (0.50) BCHEACHEARABCG2MAOB
SCHEMBL6896786 0.75 BCHE (0.52) BCHEACHEARABCG2MAOB
SCHEMBL8787776 0.71 TNKS (0.54) BCHEACHEARABCG2MAOB
SCHEMBL17523234 0.69 BCHE (0.82) BCHEACHEARABCG2MAOB
SCHEMBL753327 0.69 AR (0.47) BCHEACHEARABCG2MAOB
SCHEMBL6896780 0.69 BRD4 (0.43) BCHEACHEARABCG2MAOB

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 8 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
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 BCHE 2050/4885ACHE 2914/4885AR 951/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI BCHE 1478/4885ACHE 1249/4885AR 469/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI BCHE 1478/4885ACHE 1249/4885AR 469/4885

“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.