SCHEMBL5438947

SCHEMBL5438947

CCS(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc(OC)cc3)n(CC(=O)N3CCOCC3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.47
NR1I2 O75469 6/20 0.45
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
KCNH2 Q12809 3/20 0.42
USP2 O75604 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTGS2 P35354 1/20 0.41
CYP3A4 P08684 1/20 0.41
SCN5A Q14524 1/20 0.41

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
SCHEMBL5434937 0.88 PTGS2 (0.46) SCN9AGRIN1GRIN2BUSP2KDM4E
SCHEMBL5198176 0.87 GRIN1 (0.46) SCN9AGRIN1GRIN2BUSP2KDM4E
SCHEMBL5199183 0.82 SCN9A (0.42) SCN9ANR1I2GRIN1GRIN2BKDM4E
SCHEMBL5198110 0.82 SCN9A (0.40) SCN9ANR1I2GRIN1GRIN2BUSP2
SCHEMBL14154326 0.81 SCN9A (0.53) SCN9ANR1I2KCNH2CYP3A4SCN5A
SCHEMBL84881 0.81 SCN9A (0.46) SCN9ANR1I2KCNH2CYP3A4SCN5A
SCHEMBL14154283 0.81 SCN9A (0.45) SCN9ANR1I2KCNH2CYP3A4SCN5A
SCHEMBL5439071 0.81 NR1I2 (0.46) SCN9ANR1I2GRIN2BALDH1A1PTGS2
SCHEMBL5216547 0.81 ALDH1A1 (0.42) GRIN1GRIN2BUSP2KDM4ENPC1
SCHEMBL12869638 0.81 SCN9A (0.60) SCN9ANR1I2ALDH1A1CYP3A4SCN5A

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 2221/4885NR1I2 42/4885GRIN1 921/4885

“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.