SCHEMBL751248

SCHEMBL751248

COc1ccc(CN2CC(c3cc(OCc4ccc(F)cc4)ncn3)=C(O)C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
HTT P42858 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
FFAR1 O14842 1/20 0.38
TP53 P04637 1/20 0.37
MAOB P27338 2/20 0.37
ANO1 Q5XXA6 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAOA P21397 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
RGS4 P49798 1/20 0.36

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
SCHEMBL751416 0.86 JAK2 (0.44) LMNAHTTJAK2JAK3MAOB
SCHEMBL754587 0.85 JAK2 (0.41) LMNAJAK2JAK3ALDH1A1L3MBTL1
SCHEMBL756220 0.84 JAK2 (0.43) LMNAJAK2JAK3MAOBL3MBTL1
SCHEMBL755319 0.83 JAK2 (0.43) LMNAHTTJAK2JAK3MAOB
SCHEMBL753011 0.83 JAK2 (0.45) LMNAJAK2JAK3MAOBL3MBTL1
SCHEMBL753218 0.82 JAK2 (0.44) LMNAHTTJAK2JAK3MAOB
SCHEMBL754532 0.81 JAK2 (0.43) LMNAJAK2JAK3MAOBL3MBTL1
SCHEMBL754324 0.79 LMNA (0.44) LMNAHTTNPSR1TP53MAPT
SCHEMBL2487611 0.72 JAK2 (0.46) LMNAJAK2JAK3MAOBL3MBTL1
SCHEMBL755973 0.72 PKM (0.41) LMNAHTTJAK2JAK3ALDH1A1

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 LMNA 2825/4885HTT 4561/4885NPSR1 4178/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LMNA 2945/4885HTT 4541/4885NPSR1 4131/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LMNA 2945/4885HTT 4541/4885NPSR1 4131/4885

“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.