SCHEMBL752233

SCHEMBL752233

O=C(Nc1ccccc1)c1cc(=O)c(O)c(C(=O)c2ccc(Cc3ccc(F)cc3)o2)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
LMNA P02545 5/20 0.48
RECQL P46063 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAOB P27338 2/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 5/20 0.42
POLB P06746 3/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
GFER P55789 1/20 0.41
BCL2 P10415 1/20 0.41
TP53 P04637 2/20 0.40
MAOA P21397 1/20 0.39

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
SCHEMBL754737 0.87 ALDH1A1 (0.48) LMNAHPGDMEN1KMT2AALDH1A1
SCHEMBL753088 0.85 POLB (0.38) MAPTLMNAL3MBTL1ALDH1A1POLB
Dimethylamine SCHEMBL752802 0.84 CNR2 (0.38) MAPTLMNAALDH1A1POLBHTT
Aniline SCHEMBL752234 0.82 ALDH1A1 (0.38) MAPTLMNARECQLKMT2AALDH1A1
Methylamine SCHEMBL753441 0.82 CNR2 (0.38) MAPTL3MBTL1ALDH1A1POLBKDM4E
Benzylamine SCHEMBL754738 0.82 POLB (0.38) LMNAKMT2AALDH1A1POLBKDM4E
SCHEMBL755785 0.82 ALDH1A1 (0.39) MAPTLMNASMN1; SMN2HPGDMEN1
SCHEMBL753407 0.81 HTT (0.49) MAPTLMNARECQLHPGDL3MBTL1
Ethylamine SCHEMBL753922 0.80 CNR2 (0.37) MAPTL3MBTL1KMT2AALDH1A1POLB
Isopropylamine SCHEMBL755786 0.80 CNR2 (0.37) MAPTLMNAKMT2AALDH1A1POLB

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 MAPT 4635/4885LMNA 2825/4885RECQL 595/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MAPT 4426/4885LMNA 2945/4885RECQL 570/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MAPT 4426/4885LMNA 2945/4885RECQL 570/4885

“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.