SCHEMBL5435199

SCHEMBL5435199

O=C(O)Cn1c(-c2ccccc2)c(C2CCCCC2)c2ccc(-c3noc(=O)[nH]3)cc21

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 5/20 0.41
CCKBR P32239 5/20 0.41
XDH P47989 2/20 0.41
AGTR1 P30556 4/20 0.39
DPP4 P27487 1/20 0.36
KCNH2 Q12809 1/20 0.36
DPP7 Q9UHL4 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
SCHEMBL5438859 0.91 CCKAR (0.40) CCKARCCKBRXDHAGTR1DPP4
SCHEMBL5430255 0.89 GRIN2B (0.41) CCKARCCKBRXDHDPP4KCNH2
SCHEMBL5432942 0.88 CCKAR (0.39) CCKARCCKBRXDHAGTR1DPP4
SCHEMBL5448376 0.87 XDH (0.42) CCKARCCKBRXDHAGTR1
SCHEMBL5442352 0.84 CCKAR (0.39) CCKARCCKBR
SCHEMBL5440567 0.83 AGTR1 (0.36) CCKARCCKBRXDHAGTR1DPP4
SCHEMBL5437190 0.83 XDH (0.38) XDHAGTR1
SCHEMBL5439005 0.82 XDH (0.37) CCKARCCKBRXDHAGTR1
SCHEMBL5433740 0.82 GRIN1 (0.41) XDHAGTR1
SCHEMBL5438589 0.82 CCKAR (0.39) CCKARCCKBRXDHAGTR1

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 3 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 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 CCKAR 2429/4885CCKBR 4014/4885XDH 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.