SCHEMBL755250

SCHEMBL755250

CCOC(=O)/C(O)=C/c1cc(OCc2ccccc2)ncn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.49
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HSP90AA1 P07900 1/20 0.39
GABRA1 P14867 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
ACACB O00763 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
FFAR1 O14842 1/20 0.38
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL755251 1.00 NR1H4 (0.49) NR1H4ALDH1A1MEN1KMT2ALMNA
SCHEMBL18590767 0.90 LMNA (0.42) NR1H4ALDH1A1MEN1KMT2ALMNA
SCHEMBL13754872 0.84 NR1H4 (0.50) NR1H4ALDH1A1MEN1KMT2ALMNA
SCHEMBL753019 0.84 MAPT (0.47) NR1H4ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL16921582 0.84 MAPT (0.47) NR1H4ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL13754870 0.84 NR1H4 (0.47) NR1H4ALDH1A1MEN1KMT2ALMNA
SCHEMBL13427750 0.81 MEN1 (0.42) NR1H4ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL1564241 0.81 NR1H4 (0.55) NR1H4ALDH1A1MEN1KMT2ALMNA
SCHEMBL13754874 0.81 NR1H4 (0.55) NR1H4ALDH1A1MEN1KMT2ALMNA
SCHEMBL13754949 0.79 MEN1 (0.40) NR1H4ALDH1A1MEN1KMT2ALMNA

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
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US 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
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 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
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI NR1H4 1466/4885ALDH1A1 424/4885MEN1 4775/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI NR1H4 1466/4885ALDH1A1 424/4885MEN1 4775/4885

“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.