SCHEMBL771226

SCHEMBL771226

O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)COc1ccccc1-3

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PRKCA P17252 1/20 0.66
▸ MMP12 P39900 1/20 0.66
▸ NR1I2 O75469 2/20 0.41
▸ SCN9A Q15858 4/20 0.41
▸ KMO O15229 1/20 0.39
▸ AKT1 P31749 2/20 0.37
▸ AKT2 P31751 2/20 0.37
▸ CNR1 P21554 1/20 0.35
▸ CYP3A4 P08684 3/20 0.34
▸ CYP2C19 P33261 3/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HCAR3 P49019 1/20 0.34
▸ FABP4 P15090 1/20 0.34
▸ CYP1A2 P05177 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
SCHEMBL772828 0.90 PRKCA (0.64) PRKCAMMP12NR1I2SCN9AKMO
SCHEMBL30486080 0.90 PRKCA (0.64) PRKCAMMP12NR1I2SCN9AKMO
SCHEMBL877519 0.89 PRKCA (0.63) PRKCAMMP12NR1I2SCN9AKMO
SCHEMBL773875 0.88 PRKCA (0.56) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL14253263 0.87 PRKCA (0.61) PRKCAMMP12NR1I2SCN9AKMO
SCHEMBL3080762 0.87 PRKCA (0.71) PRKCAMMP12NR1I2SCN9AKMO
SCHEMBL3079634 0.87 PRKCA (0.71) PRKCAMMP12NR1I2SCN9AKMO
SCHEMBL2957529 0.86 PRKCA (0.70) PRKCAMMP12NR1I2SCN9AKMO
SCHEMBL3096348 0.86 PRKCA (0.70) PRKCAMMP12NR1I2SCN9AKMO
SCHEMBL394639 0.85 PRKCA (0.63) 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 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 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.

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