SCHEMBL755141

SCHEMBL755141

COC(=O)c1ncc(Cc2ccc(F)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
MAPK1 P28482 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GRM2 Q14416 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
LTA4H P09960 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
VNN1 O95497 1/20 0.41
LMNA P02545 3/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL753810 0.83 MAPK1 (0.53) MAPTMAPK1MEN1KMT2AGRM2
SCHEMBL757225 0.80 P4HTM (0.45) MAPK1KMT2AGRM2LTA4HLMNA
SCHEMBL12378242 0.79 MAPT (0.48) MAPTMAPK1MEN1KMT2AGRM2
SCHEMBL4585367 0.77 MAPT (0.47) MAPTMAPK1MEN1KMT2AGRM2
SCHEMBL5547230 0.77 MAPT (0.41) MAPTMAPK1MEN1KMT2AGRM2
SCHEMBL10328696 0.77 CYP4F2 (0.44) MAPTCYP4F2CYP4A11MAPK1MEN1
SCHEMBL27606155 0.75 GRM2 (0.46) CYP4F2CYP4A11MAPK1MEN1KMT2A
SCHEMBL13850891 0.75 RNASEH1 (0.41) MAPTGRM2KDM5AKDM5BHSP90AA1
SCHEMBL755009 0.75 LTA4H (0.40) MAPTMAPK1MEN1KMT2AGRM2
SCHEMBL755008 0.75 LTA4H (0.40) MAPTMAPK1MEN1KMT2AGRM2

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 18 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-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US 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
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 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
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US 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-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 MAPT 4635/4885CYP4F2 2346/4885CYP4A11 787/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MAPT 4426/4885CYP4F2 2332/4885CYP4A11 698/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MAPT 4426/4885CYP4F2 2332/4885CYP4A11 698/4885

“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.