SCHEMBL773796

SCHEMBL773796

O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCOc1c(-c2ccccc2CCC(=O)N2CCCCC2)cccc1-3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.47
MMP12 P39900 1/20 0.47
NR1I2 O75469 1/20 0.38
SCN9A Q15858 1/20 0.37
CCKBR P32239 1/20 0.34
KMT2A Q03164 5/20 0.34
NPC1 O15118 5/20 0.33
TDP1 Q9NUW8 1/20 0.33
C3AR1 Q16581 2/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 4/20 0.32
MEN1 O00255 3/20 0.32
ALDH1A1 P00352 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NAAA Q02083 1/20 0.32
HPGD P15428 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
PKM P14618 2/20 0.31
STAT1 P42224 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL10283222 0.89 PRKCA (0.48) PRKCAMMP12NR1I2SCN9AKMO
Hydrochloric Acid SCHEMBL772936 0.88 PRKCA (0.47) PRKCAMMP12NR1I2SCN9AALDH1A1
SCHEMBL772466 0.88 PRKCA (0.48) PRKCAMMP12NR1I2SCN9ACCKBR
SCHEMBL771845 0.88 PRKCA (0.51) PRKCAMMP12NR1I2SCN9AKMO
SCHEMBL804583 0.88 PRKCA (0.47) PRKCAMMP12NR1I2SCN9AKMT2A
Hydrochloric Acid SCHEMBL773568 0.87 PRKCA (0.46) PRKCAMMP12NR1I2SCN9AKMT2A
SCHEMBL773573 0.85 PRKCA (0.50) PRKCAMMP12NR1I2SCN9AKMO
SCHEMBL771869 0.85 PRKCA (0.56) PRKCAMMP12NR1I2SCN9AALDH1A1
SCHEMBL772953 0.84 PRKCA (0.49) PRKCAMMP12NR1I2SCN9ACCKBR
SCHEMBL773877 0.83 PRKCA (0.52) PRKCAMMP12NR1I2SCN9AKMO

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 8 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
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 1013/4885NR1I2 1189/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PRKCA 2404/4885MMP12 1013/4885NR1I2 1189/4885

“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.