SCHEMBL5434720

SCHEMBL5434720

COc1ccc(-c2c(C3CCCCC3)c3ccc(-c4noc(=O)[nH]4)cc3n2CC(=O)N(C)C)cn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
XDH P47989 2/20 0.39
GRIN1 Q05586 3/20 0.38
GRIN2B Q13224 3/20 0.38
PDE5A O76074 2/20 0.38
PIK3CA P42336 3/20 0.37
PLAT P00750 1/20 0.36
SCN9A Q15858 1/20 0.35
MTOR P42345 2/20 0.35
SCD O00767 1/20 0.34
SCD5 Q86SK9 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
PDE6A P16499 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
SCHEMBL5441090 0.91 KCNH2 (0.38) XDHGRIN1GRIN2B
SCHEMBL5433740 0.89 GRIN1 (0.41) XDHGRIN1GRIN2B
SCHEMBL5433300 0.88 CYP3A4 (0.38) CYP3A4CYP2C19XDHGRIN1GRIN2B
SCHEMBL5438859 0.87 CCKAR (0.40) XDH
SCHEMBL5439377 0.87 AGTR1 (0.40) GRIN1GRIN2B
SCHEMBL5439005 0.87 XDH (0.37) XDH
SCHEMBL5437190 0.86 XDH (0.38) CYP3A4CYP2C19XDH
SCHEMBL5445861 0.86 XDH (0.38) XDHGRIN1GRIN2BSCN9A
SCHEMBL5434679 0.85 SCN9A (0.41) CYP3A4CYP2C19XDHSCN9A
SCHEMBL5439364 0.84 XDH (0.35) XDH

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 CYP3A4 116/4885CYP2C19 984/4885XDH 12/4885

“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.