SCHEMBL804229

SCHEMBL804229

O=C(O)c1ccc2c(c1)N(CCN1CCCCC1)CCn1c-2c(C2CCCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.46
MMP12 P39900 1/20 0.46
SCN9A Q15858 4/20 0.43
HRH3 Q9Y5N1 5/20 0.37
KCNH2 Q12809 4/20 0.37
HTR1A P08908 2/20 0.37
SLC6A4 P31645 1/20 0.37
HRH1 P35367 1/20 0.37
NR1I2 O75469 3/20 0.35
POLB P06746 2/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
KDM2B Q8NHM5 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL12429148 0.96 PRKCA (0.43) PRKCAMMP12SCN9AHRH3KCNH2
SCHEMBL12427687 0.94 PRKCA (0.43) PRKCAMMP12SCN9AHRH3KCNH2
SCHEMBL12427895 0.94 PRKCA (0.45) PRKCAMMP12SCN9AHRH3KCNH2
SCHEMBL12427986 0.94 PRKCA (0.43) PRKCAMMP12SCN9AHRH3KCNH2
SCHEMBL12429142 0.94 PRKCA (0.43) PRKCAMMP12SCN9AHRH3KCNH2
SCHEMBL12427889 0.94 PRKCA (0.43) PRKCAMMP12SCN9AHRH3KCNH2
SCHEMBL803833 0.94 PRKCA (0.45) PRKCAMMP12SCN9AHRH3KCNH2
SCHEMBL12427971 0.94 PRKCA (0.45) PRKCAMMP12SCN9AHRH3KCNH2
SCHEMBL804085 0.94 PRKCA (0.43) PRKCAMMP12SCN9AHRH3KCNH2
SCHEMBL12427893 0.94 PRKCA (0.43) PRKCAMMP12SCN9AHRH3KCNH2

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 3 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-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 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 (1 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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PRKCA 2404/4885MMP12 1013/4885SCN9A 3087/4885

“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.