SCHEMBL773281

SCHEMBL773281

COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCOc1c-3cccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
PRKCA P17252 1/20 0.40
MMP12 P39900 1/20 0.40
ALDH1A1 P00352 6/20 0.40
NR1I2 O75469 1/20 0.39
SCN9A Q15858 4/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
OPRK1 P41145 1/20 0.36
LMNA P02545 3/20 0.36
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
ATM Q13315 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL774009 0.90 PRKCA (0.47) PRKCAMMP12ALDH1A1NR1I2SCN9A
SCHEMBL771620 0.87 PRKCA (0.43) HPGDPRKCAMMP12ALDH1A1NR1I2
SCHEMBL771466 0.86 PRKCA (0.42) HPGDPRKCAMMP12ALDH1A1NR1I2
SCHEMBL792977 0.85 CACNB4 (0.36) HPGDPRKCAMMP12ALDH1A1NR1I2
SCHEMBL10283558 0.83 PRKCA (0.34) HPGDPRKCAMMP12ALDH1A1NR1I2
SCHEMBL13476305 0.83 KDM4E (0.34) HPGDALDH1A1KMT2AOPRK1LMNA
SCHEMBL772035 0.83 PRKCA (0.54) HPGDPRKCAMMP12ALDH1A1NR1I2
SCHEMBL774184 0.82 NR1I2 (0.40) PRKCAMMP12NR1I2SCN9AMAPT
SCHEMBL773225 0.82 PRKCA (0.42) PRKCAMMP12ALDH1A1NR1I2SCN9A
SCHEMBL14607005 0.82 PRKCA (0.40) HPGDPRKCAMMP12ALDH1A1NR1I2

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 10 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
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
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 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

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 HPGD 2752/4885PRKCA 2404/4885MMP12 1013/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 HPGD 2752/4885PRKCA 2404/4885MMP12 1013/4885

“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.