SCHEMBL754229

SCHEMBL754229

CC(C)N1CC(c2nccc(OCc3ccc(F)cc3)n2)=C(O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
KCNH2 Q12809 1/20 0.36
KDM5A P29375 4/20 0.34
KDM5B Q9UGL1 4/20 0.34
MAOB P27338 1/20 0.34
KDM4C Q9H3R0 3/20 0.34
KDM2B Q8NHM5 1/20 0.34
ACACB O00763 1/20 0.33
FFAR4 Q5NUL3 2/20 0.33
LIPG Q9Y5X9 1/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL751999 0.90 ALKBH1 (0.41) KDM5AKDM4CACACBIDH1GRM5
SCHEMBL756359 0.86 LIPG (0.43) KDM4ELMNATSHRMAPK1TDP1
SCHEMBL754178 0.84 ALDH1A1 (0.37) KDM4ELMNATSHRMAPK1TDP1
SCHEMBL751868 0.82 ALKBH1 (0.43) MAOBLIPGPOLBGRM5NR4A2
SCHEMBL754532 0.80 JAK2 (0.43) KDM4ELMNATSHRMAPK1TDP1
SCHEMBL752929 0.76 CYP4F2 (0.44) MAOBLIPGPOLBNR4A2
SCHEMBL2484268 0.76 KDM4E (0.42) KDM4ELMNATSHRMAPK1TDP1
SCHEMBL754752 0.76 USP1 (0.36) MAPK1KCNH2LIPGPOLBIDH1
SCHEMBL749812 0.76 NPSR1 (0.33) KDM4ELMNATDP1KDM4CLIPG
SCHEMBL755667 0.75 ALKBH1 (0.43) KDM5AMAOBKDM4CLIPGGRM5

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 10 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-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 KDM4E 336/4885LMNA 2825/4885TSHR 4237/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KDM4E 382/4885LMNA 2945/4885TSHR 3427/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KDM4E 382/4885LMNA 2945/4885TSHR 3427/4885

“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.