SCHEMBL804272

SCHEMBL804272

O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCOc1cc(OC2CCCNC2)ccc1-3

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.44
MMP12 P39900 1/20 0.44
ROCK1 Q13464 6/20 0.38
ROCK2 O75116 2/20 0.37
PRKX P51817 1/20 0.37
PRKCE Q02156 1/20 0.37
PRKCD Q05655 1/20 0.37
PRKD1 Q15139 1/20 0.37
SCN9A Q15858 1/20 0.36
ALK Q9UM73 1/20 0.36
NR1I2 O75469 3/20 0.36
KCNH2 Q12809 3/20 0.36
CHEK2 O96017 1/20 0.34
EGLN1 Q9GZT9 2/20 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
Hydrochloric Acid SCHEMBL772752 0.99 PRKCA (0.44) PRKCAMMP12ROCK1ROCK2PRKX
SCHEMBL12428631 0.96 PRKCA (0.45) PRKCAMMP12ROCK1SCN9ANR1I2
Hydrochloric Acid SCHEMBL771743 0.95 PRKCA (0.44) PRKCAMMP12ROCK1SCN9ANR1I2
SCHEMBL771605 0.92 NR1I2 (0.39) PRKCAMMP12ROCK1ROCK2PRKX
SCHEMBL792848 0.87 ROCK1 (0.42) PRKCAMMP12ROCK1ROCK2PRKX
SCHEMBL772000 0.84 PRKCA (0.51) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL772620 0.83 PRKCA (0.46) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL771540 0.83 PRKCA (0.46) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL773978 0.82 PRKCA (0.50) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL771180 0.82 PRKCA (0.52) PRKCAMMP12SCN9ANR1I2EGLN1

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 4 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
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 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 (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 1013/4885ROCK1 3537/4885

“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.