SCHEMBL754143

SCHEMBL754143

O=C1NCC(c2ncc(Cc3ccc(F)cc3)cn2)=C1CO

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.33
MAPK1 P28482 2/20 0.32
LMNA P02545 1/20 0.32
CASP3 P42574 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GRM2 Q14416 4/20 0.32
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
DAO P14920 1/20 0.31
TYK2 P29597 2/20 0.31
PLA2G7 Q13093 1/20 0.31
MAPT P10636 1/20 0.30
BRS3 P32247 1/20 0.30

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
SCHEMBL6810513 0.73 NR3C2 (0.43) GRM2DAOBRS3
SCHEMBL765660 0.73 CYP4F2 (0.52)
SCHEMBL755282 0.69 RIPK1 (0.33) PARP1LMNAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL751850 0.69 BRS3 (0.36) PARP1MAPTBRS3
SCHEMBL756391 0.68 HTR2C (0.41) MAPK1LMNACASP3SENP7SENP6
SCHEMBL754144 0.68 LIPG (0.42) MAPK1LMNACASP3SENP7SENP6
SCHEMBL752898 0.66 POLB (0.37) LMNAALDH1A1POLBHTTMAPT
SCHEMBL749812 0.65 NPSR1 (0.33) LMNAGRM2ALDH1A1SMN1; SMN2MAPT
SCHEMBL752745 0.64 HSP90AA1 (0.31) MAPK1LMNACASP3SENP7SENP6
SCHEMBL14384961 0.64 GRM2 (0.34) PARP1GRM2DAOTYK2MAPT

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 PARP1 463/4885MAPK1 3173/4885LMNA 2825/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI PARP1 509/4885MAPK1 3073/4885LMNA 2945/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI PARP1 509/4885MAPK1 3073/4885LMNA 2945/4885

“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.