SCHEMBL753029

SCHEMBL753029

CCOC(=O)C(O)=Cc1ncc(OCc2ccc(F)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.47
NR1H4 Q96RI1 1/20 0.46
ALKBH1 Q13686 1/20 0.46
NR4A2 P43354 2/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MMP13 P45452 1/20 0.41
PARP10 Q53GL7 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAOA P21397 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GSK3B P49841 1/20 0.40

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
SCHEMBL753028 1.00 MAOB (0.47) MAOBNR1H4ALKBH1NR4A2LMNA
SCHEMBL753075 0.85 MAPT (0.47) MAOBNR1H4LMNAMEN1CYP1A2
SCHEMBL753076 0.85 MAPT (0.47) MAOBNR1H4LMNAMEN1CYP1A2
SCHEMBL754257 0.85 MAPT (0.47) MAOBNR1H4LMNAMEN1CYP1A2
SCHEMBL754258 0.85 MAPT (0.47) MAOBNR1H4LMNAMEN1CYP1A2
SCHEMBL754203 0.81 MAPT (0.42) MAOBNR1H4NR4A2LMNAMEN1
SCHEMBL754204 0.81 MAPT (0.42) MAOBNR1H4NR4A2LMNAMEN1
SCHEMBL754231 0.81 MAPT (0.42) MAOBNR1H4NR4A2LMNAMEN1
SCHEMBL754232 0.81 MAPT (0.42) MAOBNR1H4NR4A2LMNAMEN1
SCHEMBL755353 0.76 MEN1 (0.47) NR1H4ALKBH1LMNAMEN1CYP1A2

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 MAOB 709/4885NR1H4 1608/4885ALKBH1 163/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MAOB 900/4885NR1H4 1466/4885ALKBH1 143/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MAOB 900/4885NR1H4 1466/4885ALKBH1 143/4885

“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.