SCHEMBL423929

SCHEMBL423929

[CH2]C(=O)NCCNC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
MAPK1 P28482 1/20 0.55
HIF1A Q16665 1/20 0.55
TSHR P16473 1/20 0.50
ALDH1A1 P00352 1/20 0.48
PAOX Q6QHF9 3/20 0.44
ADRA1A P35348 1/20 0.43
MTNR1A P48039 8/20 0.39
MTNR1B P49286 8/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
F13A1 P00488 1/20 0.39
CNR1 P21554 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL8107 0.85 KDM4E (0.71) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL5597182 0.78
SCHEMBL1630298 0.78
SCHEMBL6130978 0.77 KDM4E (0.60) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL13398529 0.77 KDM4E (0.60) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL21089233 0.77 KDM4E (0.60) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL12810264 0.77 KDM4E (0.60) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL12407913 0.77 KDM4E (0.60) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL287439 0.74
SCHEMBL294129 0.74

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 15 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
US-6004531-A LIGANDS FOR RADIOPHARMACEUTICALS; CAPABLE OF CHELATING RADIOMETAL SPECIES AND OF BEING BOUND TO BIOLOGICAL TARGETING MOLECULES NYCOMED AMERSHAM PLC (GB) 1999-12-21 US disclosed
US-5932707-A Thioether-containing metal chelating compounds NYCOMED AMERSHAM PLC (GB) 1999-08-03 US disclosed
WO-1994022816-A1 METAL CHELATING COMPOUNDS AMERSHAM INTERNATIONAL PLC (GB) 1994-10-13 WO disclosed
EP-0618191-A1 Metal chelating compounds AMERSHAM INTERNATIONAL plc (GB) 1994-10-05 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 (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 KDM4E 2725/4885MAPK1 1154/4885HIF1A 3985/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI KDM4E 1520/4885MAPK1 1446/4885HIF1A 4019/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI KDM4E 1520/4885MAPK1 1446/4885HIF1A 4019/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 KDM4E 1949/4885MAPK1 564/4885HIF1A 4221/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 KDM4E 2725/4885MAPK1 1154/4885HIF1A 3985/4885

“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.