SCHEMBL752001

SCHEMBL752001

NNC(=O)c1nc2ccccc2c(O)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MAPT P10636 5/20 0.50
GAA P10253 5/20 0.50
KDM4E B2RXH2 3/20 0.46
BBOX1 O75936 1/20 0.46
FTO Q9C0B1 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ADORA3 P0DMS8 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4A O75164 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
TGM2 P21980 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
FHIT P49789 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL6079236 0.85 HDAC8 (0.48) ALDH1A1MAPTGAAKDM4EBBOX1
SCHEMBL17921816 0.82 POLB (0.50) ALDH1A1MAPTGAAKDM4EBBOX1
SCHEMBL1332157 0.81 MAP2K3 (0.50) ALDH1A1MAPTKDM4EADORA3SMN1; SMN2
SCHEMBL29849579 0.80 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EPOLBSMN1; SMN2
SCHEMBL296952 0.80 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EPOLBSMN1; SMN2
SCHEMBL11565856 0.79 GAA (0.45) ALDH1A1MAPTGAAKDM4EPOLB
SCHEMBL5172356 0.78 GAA (0.49) ALDH1A1MAPTGAASMN1; SMN2MEN1
SCHEMBL752046 0.75 POLB (0.53) ALDH1A1MAPTGAAKDM4EPOLB
SCHEMBL28149300 0.72 ALDH1A1 (0.57) ALDH1A1MAPTGAAKDM4EPOLB
SCHEMBL28542694 0.71 GAA (0.58) ALDH1A1MAPTGAAKDM4EPOLB

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 ALDH1A1 658/4885MAPT 4635/4885GAA 1106/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ALDH1A1 424/4885MAPT 4426/4885GAA 1442/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ALDH1A1 424/4885MAPT 4426/4885GAA 1442/4885

“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.