SCHEMBL755178

SCHEMBL755178

COCNC(=O)CCCNC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
CA1 P00915 7/20 0.51
CA2 P00918 7/20 0.51
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
CAPN1 P07384 1/20 0.47
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
CA12 O43570 3/20 0.46
CA9 Q16790 3/20 0.46
SIGMAR1 Q99720 1/20 0.41
RECQL P46063 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
SCHEMBL500235 0.95 TDP1 (0.57) TDP1MEN1GAAKMT2ACA1
SCHEMBL6502824 0.90 TDP1 (0.49) TDP1MEN1GAAKMT2ACA1
SCHEMBL13743663 0.83 TDP1 (0.57) TDP1MEN1GAAKMT2ACA1
SCHEMBL3882948 0.83 CAPN1 (0.63) TDP1MEN1GAAKMT2ACA1
SCHEMBL3882611 0.82 CAPN1 (0.61) TDP1MEN1GAAKMT2ACA1
SCHEMBL3875446 0.82 CAPN1 (0.61) TDP1MEN1GAAKMT2ACA1
SCHEMBL3884455 0.82 CAPN1 (0.61) TDP1MEN1GAAKMT2ACA1
SCHEMBL12418238 0.82 TDP1 (0.65) TDP1MEN1GAAKMT2ACA1
SCHEMBL1834665 0.81 TDP1 (0.59) TDP1MEN1GAAKMT2ACA1
SCHEMBL7207224 0.81 TDP1 (0.69) TDP1MEN1GAAKMT2ACA1

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 TDP1 1047/4885MEN1 4766/4885GAA 1106/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI TDP1 780/4885MEN1 4775/4885GAA 1442/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI TDP1 780/4885MEN1 4775/4885GAA 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.