SCHEMBL2907228

SCHEMBL2907228

CN(C)C(=O)Cn1c(-c2ccccc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.50
MMP12 P39900 1/20 0.50
MAPT P10636 1/20 0.39
FABP4 P15090 2/20 0.39
SCN9A Q15858 4/20 0.38
KMO O15229 1/20 0.37
LOXL2 Q9Y4K0 2/20 0.37
CYP2D6 P10635 2/20 0.36
HRH1 P35367 2/20 0.36
KCNH2 Q12809 2/20 0.36
NR1I2 O75469 1/20 0.36
PARP1 P09874 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL5448428 0.92 PRKCA (0.47) PRKCAMMP12
SCHEMBL5442473 0.92 PRKCA (0.43) PRKCAMMP12MAPTSCN9ACYP2D6
SCHEMBL5438990 0.92 PRKCA (0.45) PRKCAMMP12MAPTSCN9ANR1I2
SCHEMBL5443976 0.92 PRKCA (0.45) PRKCAMMP12MAPTFABP4SCN9A
SCHEMBL5433680 0.92 PRKCA (0.45) PRKCAMMP12MAPTSCN9AKMO
SCHEMBL5442625 0.92 PRKCA (0.45) PRKCAMMP12MAPTFABP4SCN9A
SCHEMBL5440051 0.91 PRKCA (0.44) PRKCAMMP12SCN9ACYP2D6HRH1
SCHEMBL5428446 0.91 PRKCA (0.44) PRKCAMMP12MAPTSCN9AL3MBTL1
SCHEMBL5433925 0.91 PRKCA (0.44) PRKCAMMP12SCN9ACYP2D6KCNH2
SCHEMBL5440954 0.91 PRKCA (0.44) PRKCAMMP12MAPTSCN9ACYP2D6

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2076495-B1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES HOFFMANN LA ROCHE (CH) 2010-08-18 EP 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 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-7795250-B2 Indole derivatives as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2010-09-14 US disclosed
EP-1758857-B1 INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2010-08-18 EP disclosed
US-20080261944-A1 Indole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2008-10-23 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
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-1758857-A1 INDOLE DERIVATIVES AS ANTIVIRAL AGENTS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2007-03-07 EP disclosed
WO-2006029912-A1 INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2006-03-23 WO 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 (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-20080261944-A1 Indole Derivatives as Antiviral Agents IDO1, IDO2, IRF3 PRKCA 4296/4885MMP12 3802/4885MAPT 3543/4885
US-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase IDO1, NAT1, AANAT PRKCA 4676/4885MMP12 3218/4885MAPT 4411/4885

“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.