SCHEMBL5430255

SCHEMBL5430255

O=C(Cn1c(-c2ccccc2)c(C2CCCCC2)c2ccc(-c3noc(=O)[nH]3)cc21)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 6/20 0.41
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
CCKAR P32238 2/20 0.39
CCKBR P32239 2/20 0.39
PTGS2 P35354 1/20 0.39
GRIN1 Q05586 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HIF1A Q16665 1/20 0.38
MAPT P10636 1/20 0.37
XDH P47989 1/20 0.37
EGFR P00533 1/20 0.36
TYMS P04818 1/20 0.36
LTA4H P09960 1/20 0.36
VDR P11473 1/20 0.36
SRC P12931 1/20 0.36
MAPK1 P28482 1/20 0.36
CTSK P43235 1/20 0.36
DPP4 P27487 1/20 0.36
KCNH2 Q12809 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
SCHEMBL5432942 0.92 CCKAR (0.39) GRIN2BCCKARCCKBRPTGS2GRIN1
SCHEMBL5435199 0.89 CCKAR (0.41) CCKARCCKBRXDHDPP4KCNH2
SCHEMBL5438859 0.85 CCKAR (0.40) CCKARCCKBRXDHDPP4KCNH2
SCHEMBL5452208 0.83 CDYL (0.38) CCKARCCKBRXDH
SCHEMBL5198409 0.82 GRIN2B (0.43) GRIN2BBRD4CREBBPPTGS2ALDH1A1
SCHEMBL5439046 0.82 PRKCA (0.44) GRIN2BBRD4CREBBPPTGS2ALDH1A1
SCHEMBL5934773 0.81 BRD4 (0.36) GRIN2BBRD4CREBBPCCKARCCKBR
SCHEMBL5444176 0.81 GRIN2B (0.35) GRIN2BCCKARCCKBRGRIN1XDH
SCHEMBL5444268 0.81 CDYL (0.40) GRIN2BCCKARCCKBRGRIN1ALDH1A1
SCHEMBL5434235 0.81 NPC1 (0.38) GRIN2BCCKARCCKBRGRIN1ALDH1A1

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 7 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

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 GRIN2B 2160/4885BRD4 184/4885CREBBP 2037/4885

“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.