SCHEMBL2490103

SCHEMBL2490103

COCNC(=O)c1nc(C)oc1CCc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.43
POLB P06746 2/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
NR3C2 P08235 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE11A Q9HCR9 1/20 0.37
KCNE1 P15382 1/20 0.36
CCR1 P32246 1/20 0.36
KCNQ1 P51787 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
KMT2A Q03164 1/20 0.36
FPR2 P25090 1/20 0.36

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
SCHEMBL6810475 0.89 EGLN1 (0.42) EGLN1POLBALDH1A1KDM4EHTT
SCHEMBL2490061 0.84 POLB (0.44) EGLN1POLBALDH1A1KDM4EHTT
SCHEMBL754250 0.80 EGLN1 (0.42) EGLN1POLBALDH1A1SMN1; SMN2NR3C2
SCHEMBL752335 0.80 PTGS2 (0.40) EGLN1POLBALDH1A1SMN1; SMN2NPC1
SCHEMBL764272 0.75 EGLN1 (0.38) EGLN1POLBALDH1A1KDM4ENR3C2
SCHEMBL764271 0.75 EGLN1 (0.38) EGLN1POLBALDH1A1KDM4ENR3C2
SCHEMBL754010 0.73 NPSR1 (0.47) EGLN1POLBALDH1A1KDM4EHTT
SCHEMBL11829444 0.71 CES1 (0.45) ALDH1A1KDM4ESMN1; SMN2RAB9ALMNA
SCHEMBL568840 0.70 ALDH1A1 (0.56) ALDH1A1NPC1RAB9A
SCHEMBL7511179 0.69 KMT2A (0.40) POLBALDH1A1SMN1; SMN2NR3C2LMNA

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-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 EGLN1 2565/4885POLB 89/4885ALDH1A1 658/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI EGLN1 2916/4885POLB 107/4885ALDH1A1 424/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI EGLN1 2916/4885POLB 107/4885ALDH1A1 424/4885

“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.