SCHEMBL5436680

SCHEMBL5436680

CN1CCN(C(=O)Cn2c(-c3ccccc3)c(C3CCCCC3)c3ccc(C(=O)OC(=O)C(F)(F)F)cc32)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
PTGS2 P35354 1/20 0.39
GRIN2B Q13224 3/20 0.36
GRIN1 Q05586 1/20 0.36
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
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PRKCA P17252 1/20 0.34
MMP12 P39900 1/20 0.34
SCN9A Q15858 2/20 0.34
CHRM3 P20309 2/20 0.33
KMT2A Q03164 1/20 0.33
CNR1 P21554 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL5436676 0.89 PRKCA (0.42) MAPTPTGS2GRIN2BGRIN1EGFR
SCHEMBL2909117 0.87 PRKCA (0.44) MAPTPTGS2EGFRTYMSLTA4H
SCHEMBL5441855 0.84 SCN9A (0.41) MAPTPTGS2EGFRTYMSLTA4H
SCHEMBL5442308 0.83 PRKCA (0.36) PRKCAMMP12SCN9A
SCHEMBL5441131 0.83 HDAC6 (0.36) PRKCAMMP12SCN9A
SCHEMBL5442688 0.82 CHRM2 (0.34) PRKCAMMP12SCN9ACHRM3
SCHEMBL5447343 0.82 NR1I2 (0.44) MAPTPTGS2GRIN2BEGFRTYMS
SCHEMBL5439085 0.82 PRKCA (0.35) PRKCAMMP12SCN9ACHRM3
SCHEMBL5440756 0.81 PRKCA (0.41) MAPTMAPK1PRKCAMMP12SCN9A
SCHEMBL5183610 0.79 HTR2A (0.40) MAPTPTGS2TSHRNPSR1PRKCA

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 4 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
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 MAPT 4411/4885PTGS2 2072/4885GRIN2B 2160/4885

“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.