SCHEMBL5452200

SCHEMBL5452200

O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc(Cl)cc3)n(CC(=O)N3CCOCC3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.43
TYMS P04818 1/20 0.43
LTA4H P09960 1/20 0.43
VDR P11473 1/20 0.43
SRC P12931 1/20 0.43
MAPK1 P28482 1/20 0.43
CTSK P43235 1/20 0.43
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
SCN9A Q15858 2/20 0.40
PRKCA P17252 1/20 0.39
MMP12 P39900 1/20 0.39
NR1I2 O75469 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PHGDH O43175 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL5198409 0.92 GRIN2B (0.43) EGFRTYMSLTA4HVDRSRC
SCHEMBL5439046 0.92 PRKCA (0.44) EGFRTYMSLTA4HVDRSRC
SCHEMBL5217612 0.91 SCN9A (0.41) EGFRTYMSLTA4HVDRSRC
SCHEMBL5198832 0.90 MAPK1 (0.42) EGFRTYMSLTA4HVDRSRC
SCHEMBL5436725 0.90 CYP3A4 (0.40) CYP3A4CYP2C19PRKCAMMP12KCNH2
SCHEMBL5221914 0.89 NPC1 (0.38) EGFRTYMSLTA4HVDRSRC
SCHEMBL5434937 0.89 PTGS2 (0.46) CYP3A4SCN9APRKCAMMP12ALDH1A1
SCHEMBL5442241 0.88 GLP1R (0.39) SCN9APRKCAMMP12NR1I2KDM4E
SCHEMBL5198064 0.88 SCN7A (0.43) SCN9APRKCAMMP12NR1I2KCNH2
SCHEMBL5227940 0.88 PRKCA (0.42) SCN9APRKCAMMP12NR1I2ALDH1A1

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 EGFR 3840/4885TYMS 1764/4885LTA4H 2088/4885

“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.