SCHEMBL752572

SCHEMBL752572

Cn1cnc(-c2cc(=O)c3c(OCc4ccc(F)cc4)cccc3o2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.50
ACHE P22303 1/20 0.50
AR P10275 4/20 0.47
F2RL3 Q96RI0 2/20 0.42
BRD4 O60885 1/20 0.42
HPGD P15428 2/20 0.41
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ABCG2 Q9UNQ0 4/20 0.40
ABCB1 P08183 2/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 2/20 0.39
CYP3A4 P08684 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 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 0.84 BCHE (0.57) BCHEACHEARBRD4HPGD
SCHEMBL2486552 0.80 BCHE (0.53) BCHEACHEARBRD4HPGD
SCHEMBL753195 0.80 BRD4 (0.39) BCHEACHEF2RL3BRD4MAOB
SCHEMBL757274 0.80 BCHE (0.50) BCHEACHEARF2RL3BRD4
SCHEMBL756733 0.79 BCHE (0.49) BCHEACHEARF2RL3BRD4
SCHEMBL6896786 0.75 BCHE (0.52) BCHEACHEARBRD4HPGD
SCHEMBL753327 0.71 AR (0.47) BCHEACHEARHPGDMAOB
SCHEMBL16921594 0.70 BRD4 (0.58) BCHEACHEARBRD4HPGD
SCHEMBL16908927 0.69 BRD4 (0.47) BCHEACHEBRD4L3MBTL1POLH
SCHEMBL16921595 0.69 BRD4 (0.44) BCHEACHEARBRD4MAOB

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-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-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 (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 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.