SCHEMBL755427

SCHEMBL755427

Cc1nc(=O)c(O)c(-c2ccc(Oc3ccc(F)cc3)cn2)[nH]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.34
TNKS O95271 1/20 0.32
PARP1 P09874 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
HSPB1 P04792 2/20 0.32
LTA4H P09960 1/20 0.32
ALDH1A1 P00352 2/20 0.32
ABL1 P00519 1/20 0.32
CHEK2 O96017 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
TDO2 P48775 1/20 0.32
GSK3B P49841 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
TYMS P04818 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL755074 0.81 SMN1; SMN2 (0.36) ALDH1A1ABL1HPGDMAPT
SCHEMBL752971 0.65 LIPG (0.49) SCN9ALTA4HALDH1A1KDM4EHPGD
SCHEMBL751951 0.65 MEN1 (0.44) HSPB1ALDH1A1KDM4ETDO2MEN1
SCHEMBL756645 0.64 SMN1; SMN2 (0.41) ALDH1A1HPGDCYP4F2CYP4A11MEN1
SCHEMBL755812 0.63 MEN1 (0.46) SCN9AHSPB1LTA4HALDH1A1KDM4E
SCHEMBL756647 0.63 NPC1 (0.46) ALDH1A1HPGDL3MBTL1MAPT
SCHEMBL756168 0.63 IDH1 (0.38) SCN9AALDH1A1L3MBTL1SCN4A
SCHEMBL14355080 0.62 CYP11B1 (0.54) SCN9ALTA4HALDH1A1KDM4EHPGD
SCHEMBL13218296 0.61 GSK3B (0.36) SCN9AALDH1A1ABL1CHEK2KDM4E
SCHEMBL13030722 0.61 SCN4A (0.51) SCN9ALTA4HALDH1A1HPGDSCN4A

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 SCN9A 4036/4885TNKS 602/4885PARP1 463/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI SCN9A 4050/4885TNKS 501/4885PARP1 509/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI SCN9A 4050/4885TNKS 501/4885PARP1 509/4885

“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.