SCHEMBL791881

SCHEMBL791881

CCN(CCN(CC(=O)O)CC(=O)NC)CC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.54
EYA2 O00167 1/20 0.54
APP P05067 1/20 0.54
ACE P12821 1/20 0.54
BLM P54132 2/20 0.52
PMP22 Q01453 2/20 0.52
ALOX15 P16050 2/20 0.52
TSHR P16473 2/20 0.52
CYP2C19 P33261 2/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
CHRM2 P08172 1/20 0.52
ADRA2A P08913 1/20 0.52
DRD1 P21728 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
ADRA1A P35348 1/20 0.52
DRD3 P35462 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52

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
SCHEMBL5521537 0.98 TDP1 (0.56) TDP1EYA2APPACEBLM
SCHEMBL14155925 0.98 TDP1 (0.56) TDP1EYA2APPACEBLM
SCHEMBL10703274 0.96 TDP1 (0.52) TDP1EYA2APPACEBLM
Bicarbonate SCHEMBL9505787 0.94 TDP1 (0.50) TDP1EYA2APPACEBLM
SCHEMBL9159118 0.92 TDP1 (0.64) TDP1EYA2APPACEBLM
SCHEMBL791382 0.92 TDP1 (0.64) TDP1EYA2APPACEBLM
SCHEMBL8916352 0.90 TDP1 (0.47) TDP1EYA2APPACEBLM
SCHEMBL12153724 0.90 TDP1 (0.65) TDP1EYA2APPACEBLM
Caldiamide SCHEMBL1114868 0.90 TDP1 (0.65) TDP1EYA2APPACEBLM
SCHEMBL18811949 0.90 TDP1 (0.65) TDP1EYA2APPACEBLM

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 5 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-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 TDP1 3276/4885EYA2 4051/4885APP 4570/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 TDP1 3276/4885EYA2 4051/4885APP 4570/4885

“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.