SCHEMBL424451

SCHEMBL424451

[CH2]C(=O)OCCN(C(C)=O)N1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 3/20 0.38
POLB P06746 2/20 0.38
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 4/20 0.32
RAB9A P51151 2/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
USP2 O75604 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.31
GAA P10253 1/20 0.30
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL28220177 0.73 SMN1; SMN2 (0.42) TSHRSMN1; SMN2POLBRECQLTDP1
SCHEMBL5114693 0.69 TSHR (0.37) TSHRSMN1; SMN2LMNAPOLBRECQL
Hydrochloric Acid SCHEMBL5473469 0.69 THRB (0.39) TSHRSMN1; SMN2LMNAPOLBRECQL
SCHEMBL5116743 0.68 ATM (0.54) SMN1; SMN2LMNATDP1ALDH1A1KMT2A
SCHEMBL4744925 0.68 POLB (0.42) TSHRSMN1; SMN2LMNAPOLBRECQL
Hydrochloric Acid SCHEMBL29036382 0.66 TSHR (0.40) TSHRSMN1; SMN2LMNAPOLBRECQL
SCHEMBL5521576 0.65 MEN1 (0.41) KMT2AMEN1
SCHEMBL14999297 0.64 SMN1; SMN2 (0.51) TSHRSMN1; SMN2LMNAPOLBRECQL
SCHEMBL8939927 0.64 HTT (0.38) TSHRSMN1; SMN2LMNAPOLBRECQL
SCHEMBL28005178 0.64 POLB (0.38) TSHRSMN1; SMN2LMNAPOLBALDH1A1

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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 EP disclosed
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 US 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 (5 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 TSHR 4089/4885SMN1; SMN2 4306/4885LMNA 4323/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI TSHR 4648/4885SMN1; SMN2 4383/4885LMNA 4306/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI TSHR 4648/4885SMN1; SMN2 4383/4885LMNA 4306/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 TSHR 2758/4885SMN1; SMN2 4399/4885LMNA 4828/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 TSHR 4089/4885SMN1; SMN2 4306/4885LMNA 4323/4885

“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.