SCHEMBL5446231

SCHEMBL5446231

CN1CCCN(C(=O)Cn2c(-c3ccc(Cl)cc3)c(C3CCCCC3)c3ccc(C(=O)O)cc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
EGFR P00533 1/20 0.41
TYMS P04818 1/20 0.41
LTA4H P09960 1/20 0.41
VDR P11473 1/20 0.41
SRC P12931 1/20 0.41
MAPK1 P28482 1/20 0.41
CTSK P43235 1/20 0.41
TACR1 P25103 4/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
PRKCA P17252 1/20 0.38
MMP12 P39900 1/20 0.38
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
MCHR1 Q99705 1/20 0.37
POLB P06746 1/20 0.36
CHKA P35790 1/20 0.36
SCN9A Q15858 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
SCHEMBL2909117 0.90 PRKCA (0.44) KMT2AEGFRTYMSLTA4HVDR
SCHEMBL5439087 0.88 TACR1 (0.45) TACR1CYP3A4CYP2C19PRKCAMMP12
SCHEMBL5436725 0.87 CYP3A4 (0.40) TACR1CYP3A4CYP2C19PRKCAMMP12
SCHEMBL5452200 0.87 EGFR (0.43) EGFRTYMSLTA4HVDRSRC
SCHEMBL172187 0.85 PRKCA (0.43) TACR1CYP3A4CYP2C19PRKCAMMP12
Trifluoroacetic Acid SCHEMBL5436676 0.85 PRKCA (0.42) EGFRTYMSLTA4HVDRSRC
Hydrochloric Acid SCHEMBL1071086 0.85 PRKCA (0.42) TACR1CYP3A4CYP2C19PRKCAMMP12
SCHEMBL5438993 0.84 TACR1 (0.40) TACR1CYP3A4CYP2C19PRKCAMMP12
SCHEMBL5433925 0.82 PRKCA (0.44) CYP3A4CYP2C19PRKCAMMP12SCN9A
SCHEMBL5441855 0.81 SCN9A (0.41) KMT2AEGFRTYMSLTA4HVDR

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 KMT2A 1213/4885EGFR 3840/4885TYMS 1764/4885

“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.