SCHEMBL5435339

SCHEMBL5435339

O=C(Cn1c(-c2ccccc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21)NCCN1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
CD274 Q9NZQ7 2/20 0.46
KMT2A Q03164 2/20 0.45
EPHX2 P34913 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SCN9A Q15858 1/20 0.42
MMP12 P39900 1/20 0.42
PARP1 P09874 1/20 0.42
F2 P00734 1/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
PTGER4 P35408 1/20 0.41

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
SCHEMBL5434064 0.91 PRKCA (0.41) SCN9AMMP12
SCHEMBL5447324 0.86 HPGD (0.51) HPGDCD274KMT2AEPHX2ALDH1A1
SCHEMBL5439046 0.84 PRKCA (0.44) ALDH1A1SCN9AMMP12CYP2C19MAPK1
SCHEMBL5437948 0.83 HDAC6 (0.43) ALDH1A1MMP12LMNA
SCHEMBL5434953 0.83 F2 (0.44) MMP12F2F7F3LMNA
SCHEMBL5198409 0.82 GRIN2B (0.43) ALDH1A1SCN9AMMP12CYP2C19MAPK1
SCHEMBL5433824 0.81 PRKCA (0.46) SCN9AMMP12
SCHEMBL14448761 0.81 PRKCA (0.43) HPGDALDH1A1KDM4ESCN9AMMP12
SCHEMBL5440517 0.81 PRKCA (0.43) SCN9AMMP12F2F7F3
SCHEMBL5402907 0.81 PRKCA (0.44) SCN9AMMP12F2F7F3

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 HPGD 2307/4885CD274 4697/4885KMT2A 1213/4885

“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.