SCHEMBL5402763

SCHEMBL5402763

O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccncc3)n(CC(=O)N3CCC(N4CCCC4)CC3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.43
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
CDYL2 Q8N8U2 4/20 0.41
CDYL Q9Y232 4/20 0.41
CBX7 O95931 3/20 0.41
CDY1; CDY1B Q9Y6F8 2/20 0.41
L3MBTL3 Q96JM7 8/20 0.40
KDM4E B2RXH2 1/20 0.38
MBTD1 Q05BQ5 5/20 0.38
L3MBTL1 Q9Y468 5/20 0.38
PRKCA P17252 1/20 0.38
MMP12 P39900 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ACHE P22303 1/20 0.37
TP53BP1 Q12888 1/20 0.36
L3MBTL4 Q8NA19 1/20 0.36

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
SCHEMBL5448433 0.91 POLB (0.49) POLBGAATSHRCDYL2CDYL
SCHEMBL5445772 0.88 CBX7 (0.49) POLBGAATSHRCDYL2CDYL
SCHEMBL5398126 0.87 SCN9A (0.46) CYP2C9POLBGAATSHRCDYL2
SCHEMBL5442463 0.86 CBX7 (0.47) POLBGAATSHRCDYL2CDYL
SCHEMBL5433798 0.84 POLB (0.49) POLBGAATSHRCDYL2CDYL
SCHEMBL5435153 0.81 HTT (0.43) POLBGAATSHRKDM4EPRKCA
SCHEMBL5438993 0.81 TACR1 (0.40) PRKCAMMP12CYP3A4CYP2C19
SCHEMBL5440954 0.81 PRKCA (0.44) TSHRL3MBTL1PRKCAMMP12CYP3A4
SCHEMBL14468939 0.80 CHRM2 (0.41) CDYL2CDYLCBX7ACHE
SCHEMBL5437968 0.80 KCNH2 (0.40) CYP2C9TSHRKDM4EL3MBTL1PRKCA

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 CYP2C9 674/4885POLB 2000/4885GAA 3242/4885

“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.