SCHEMBL772045

SCHEMBL772045

O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCOc1cc(OCCN2CCOC2=O)ccc1-3

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.45
MMP12 P39900 1/20 0.45
PDK2 Q15119 2/20 0.41
PRMT5 O14744 4/20 0.39
WDR77 Q9BQA1 4/20 0.39
SCN9A Q15858 2/20 0.38
POLB P06746 1/20 0.37
CYP11B2 P19099 1/20 0.36
ACHE P22303 1/20 0.35
GRM2 Q14416 1/20 0.35
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
NR1I2 O75469 1/20 0.34
MAOB P27338 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SIGMAR1 Q99720 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
SCHEMBL12429389 0.86 PRKCA (0.47) PRKCAMMP12PDK2PRMT5WDR77
SCHEMBL772182 0.84 PRKCA (0.51) PRKCAMMP12POLBMAOB
SCHEMBL772435 0.84 PRKCA (0.47) PRKCAMMP12SCN9ANR1I2
SCHEMBL773978 0.83 PRKCA (0.50) PRKCAMMP12SCN9ANR1I2MEN1
SCHEMBL772000 0.83 PRKCA (0.51) PRKCAMMP12SCN9ANR1I2
SCHEMBL771169 0.83 PRKCA (0.47) PRKCAMMP12SCN9ANR1I2
SCHEMBL771180 0.82 PRKCA (0.52) PRKCAMMP12SCN9ANR1I2
SCHEMBL772377 0.81 PRKCA (0.44) PRKCAMMP12PDK2SCN9ANR1I2
SCHEMBL772271 0.81 PRKCA (0.47) PRKCAMMP12SCN9ANR1I2
SCHEMBL772290 0.80 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2

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 9 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-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
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
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP 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

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 PRKCA 2404/4885MMP12 1013/4885PDK2 3450/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PRKCA 2404/4885MMP12 1013/4885PDK2 3450/4885

“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.