SCHEMBL5446206

SCHEMBL5446206

CCS(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc(OC)nc3)n(CC(=O)N(C)C)c2c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.51
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 1/20 0.47
NR1I2 O75469 5/20 0.42
KCNH2 Q12809 4/20 0.39
SCN5A Q14524 1/20 0.39
PDE5A O76074 1/20 0.38

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
SCHEMBL2902500 0.89 CYP3A4 (0.45) SCN9ACYP3A4CYP2C19PDE5A
SCHEMBL2910421 0.88 CYP3A4 (0.46) SCN9ACYP3A4CYP2C19PDE5A
SCHEMBL5402040 0.85 SCN9A (0.46) SCN9ACYP3A4CYP2C19NR1I2KCNH2
SCHEMBL5433579 0.82 SCN9A (0.61) SCN9ACYP3A4CYP2C19NR1I2KCNH2
SCHEMBL5437523 0.80 SCN9A (0.44) SCN9ACYP3A4CYP2C19NR1I2KCNH2
SCHEMBL5442331 0.79 SCN9A (0.44) SCN9ACYP3A4CYP2C19NR1I2KCNH2
SCHEMBL2928472 0.79 CYP3A4 (0.77) CYP3A4CYP2C19KCNH2
SCHEMBL2928462 0.79 CYP3A4 (0.77) CYP3A4CYP2C19KCNH2
SCHEMBL5440975 0.78 SCN9A (0.46) SCN9ACYP3A4CYP2C19NR1I2SCN5A
SCHEMBL5434720 0.78 CYP3A4 (0.41) SCN9ACYP3A4CYP2C19PDE5A

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-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase ISTITUTO DI RICERCHE DI BIOLOGIA DI MOLECULOARE P. ANGELETTI SPA (IT) 2007-07-19 US claimed
JP-2007516158-A 2007-06-21 JP claimed
EP-1613634-A1 INDOLE ACETAMIDES AS INHIBITORS OF THE HEPATITIS C VIRUS NS5B POLYMERASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2006-01-11 EP claimed
WO-2004087714-A1 INDOLE ACETAMIDES AS INHIBITORS OF THE HEPATITIS C VIRUS NS5B POLYMERASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2004-10-14 WO claimed
US-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase ISTITUTO DI RICERCHE DI BIOLOGIA DI MOLECULOARE P. ANGELETTI SPA (IT) 2007-07-19 US disclosed
US-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase ISTITUTO DI RICERCHE DI BIOLOGIA DI MOLECULOARE P. ANGELETTI SPA (IT) 2007-07-19 US disclosed
US-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase ISTITUTO DI RICERCHE DI BIOLOGIA DI MOLECULOARE P. ANGELETTI SPA (IT) 2007-07-19 US disclosed
EP-1613634-A1 INDOLE ACETAMIDES AS INHIBITORS OF THE HEPATITIS C VIRUS NS5B POLYMERASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2006-01-11 EP disclosed
WO-2004087714-A1 INDOLE ACETAMIDES AS INHIBITORS OF THE HEPATITIS C VIRUS NS5B POLYMERASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2004-10-14 WO 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-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase IDO1, NAT1, AANAT SCN9A 2221/4885CYP3A4 116/4885CYP2C19 984/4885

“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.