SCHEMBL394814

SCHEMBL394814

COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3)n(CC(=O)O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.43
CNR2 P34972 1/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PRKCA P17252 1/20 0.41
MMP12 P39900 1/20 0.41
GLA P06280 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGDR2 Q9Y5Y4 4/20 0.40
MAPK8 P45983 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL2906906 0.91 MAPT (0.45) SCN9ACNR2HPGDKDM4EALDH1A1
SCHEMBL5440646 0.91 USP14 (0.44) SCN9ACNR2HPGDKDM4EALDH1A1
SCHEMBL394368 0.89 CNR2 (0.39) SCN9ACNR2HPGDKDM4EALDH1A1
SCHEMBL1173770 0.88 SCN9A (0.56) SCN9ACNR2HPGDKDM4EALDH1A1
SCHEMBL1174350 0.87 SCN9A (0.55) SCN9ACNR2HPGDKDM4EALDH1A1
SCHEMBL1173428 0.85 ALDH1A1 (0.44) SCN9ACNR2HPGDKDM4EALDH1A1
SCHEMBL10293456 0.84 ALDH1A1 (0.41) SCN9ACNR2HPGDKDM4EALDH1A1
SCHEMBL13006958 0.84 SCN9A (0.53) SCN9AHPGDALDH1A1CYP3A4CYP2C9
SCHEMBL10293468 0.83 HDAC1 (0.42) SCN9ACNR2KDM4EHDAC1HDAC8
SCHEMBL393583 0.82 PRKCA (0.39) SCN9ACNR2HPGDKDM4EALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121707-B1 ANTIVIRAL INDOLES ANGELETTI P IST RICHERCHE BIO (IT) 2012-12-05 EP disclosed
US-8101595-B2 Antiviral indoles Istituto di Ricerche di Biologia Molecolare P. Angletti SpA (IT) 2012-01-24 US disclosed
US-7781422-B2 Antiviral indoles ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-08-24 US disclosed
US-20100076046-A1 Antiviral Indoles ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-03-25 US disclosed
EP-2121707-A1 ANTIVIRAL INDOLES Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2009-11-25 EP disclosed
WO-2008075103-A1 ANTIVIRAL INDOLES ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-06-26 WO disclosed
US-20080153895-A1 Antiviral indoles ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-06-26 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 (3 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-20100076046-A1 Antiviral Indoles IDO1, ZC3HAV1, IFNAR1 SCN9A 4657/4885CNR2 873/4885HPGD 2719/4885
US-20080153895-A1 Antiviral indoles IDO1, ZC3HAV1, YBX1 SCN9A 4630/4885CNR2 907/4885HPGD 2767/4885
US-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase IDO1, NAT1, AANAT SCN9A 2221/4885CNR2 303/4885HPGD 2307/4885

“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.