SCHEMBL5435153

SCHEMBL5435153

O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccccc3)n(CC(=O)N3CCN4CCCC4C3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PRKCA P17252 1/20 0.41
MMP12 P39900 1/20 0.41
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 5/20 0.40
POLB P06746 2/20 0.39
SCN9A Q15858 2/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
CHRM1 P11229 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PARP1 P09874 2/20 0.38
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL5437968 0.91 KCNH2 (0.40) HTTNPSR1PRKCAMMP12KDM4E
SCHEMBL5438993 0.89 TACR1 (0.40) PRKCAMMP12HRH3
SCHEMBL5448433 0.88 POLB (0.49) HTTNPSR1PRKCAMMP12POLB
SCHEMBL2909117 0.85 PRKCA (0.44) HTTNPSR1PRKCAMMP12POLB
SCHEMBL5439046 0.83 PRKCA (0.44) PRKCAMMP12ALDH1A1SCN9A
SCHEMBL5437093 0.83 PRKCA (0.46) PRKCAMMP12KDM4EALDH1A1MEN1
SCHEMBL5198409 0.82 GRIN2B (0.43) PRKCAMMP12ALDH1A1SCN9A
SCHEMBL5439066 0.82 NAMPT (0.42) PRKCAMMP12KDM4EALDH1A1POLB
SCHEMBL5402763 0.81 CYP2C9 (0.43) NPSR1PRKCAMMP12KDM4EPOLB
SCHEMBL5433798 0.81 POLB (0.49) HTTNPSR1POLBGAATSHR

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 HTT 2941/4885NPSR1 458/4885PRKCA 4676/4885

“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.