SCHEMBL3579460

SCHEMBL3579460

C#CCn1c(-c2ccc(OC)cc2C=O)c(C2CCCCC2)c2ccc(C(=O)OC)cc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.39
NR1I2 O75469 5/20 0.39
CYP3A4 P08684 3/20 0.38
SCN5A Q14524 2/20 0.38
CNR2 P34972 4/20 0.36
SCN9A Q15858 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CNR1 P21554 1/20 0.35

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
SCHEMBL3596365 0.89 PRKCA (0.40) NR1I2CYP3A4CNR2SCN9ACYP2C9
SCHEMBL3586074 0.88 KCNH2 (0.40) KCNH2NR1I2CYP3A4SCN5ACNR2
SCHEMBL2277343 0.88 KCNH2 (0.40) KCNH2NR1I2CYP3A4SCN5ACNR2
SCHEMBL3088667 0.87 KCNH2 (0.39) KCNH2NR1I2CYP3A4SCN5ACNR2
Dimethyl Sulfoxide SCHEMBL3691343 0.84 KCNH2 (0.38) KCNH2NR1I2CYP3A4SCN5ACNR2
SCHEMBL3596844 0.84 PRKCA (0.39) KCNH2NR1I2CYP3A4CNR2SCN9A
SCHEMBL3582552 0.83 KCNH2 (0.39) KCNH2NR1I2CYP3A4SCN5ACNR2
SCHEMBL3593841 0.82 PTGDR2 (0.33) KCNH2NR1I2CNR2CNR1
SCHEMBL3586034 0.80 PRKCA (0.38) NR1I2CYP3A4CNR2SCN9ACYP2C9
SCHEMBL3073403 0.79 USP14 (0.39) KCNH2NR1I2CYP3A4CNR2SCN9A

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-8232390-B2 Pentacyclic indole derivatives as antiviral agents ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2012-07-31 US disclosed
US-20100009959-A1 Pentacyclic Indole Derivatives as Antiviral Agents INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-01-14 US disclosed
EP-2027125-A1 PENTACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-02-25 EP disclosed
WO-2007129119-A1 PENTACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-11-15 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-20100009959-A1 Pentacyclic Indole Derivatives as Antiviral Agents IDO1, IDO2, ZC3HAV1 KCNH2 1925/4885NR1I2 79/4885CYP3A4 130/4885

“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.