SCHEMBL3582552

SCHEMBL3582552

C#CCn1c(-c2ccc(OC)cc2CO[Si](C(C)C)(C(C)C)C(C)C)c(C2CCCCC2)c2ccc(C(=O)OC)cc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.39
NR1I2 O75469 5/20 0.38
CYP3A4 P08684 3/20 0.36
SCN5A Q14524 2/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SCN9A Q15858 3/20 0.35
CNR2 P34972 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL3590122 0.90 PRKCA (0.37) KCNH2NR1I2CYP3A4CYP2C9CYP2C19
SCHEMBL2275261 0.88 KCNH2 (0.39) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL3586074 0.88 KCNH2 (0.40) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL3808470 0.86 KCNH2 (0.38) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL3589881 0.83 VDR (0.33) KCNH2NR1I2
SCHEMBL3579460 0.83 KCNH2 (0.39) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL3588465 0.81 SCN9A (0.42) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL3586034 0.79 PRKCA (0.38) NR1I2CYP3A4CYP2C9CYP2C19SCN9A
SCHEMBL3585949 0.79 PRKCA (0.37) KCNH2NR1I2SCN9ACNR2
SCHEMBL2278267 0.78 TRPV1 (0.39) KCNH2TRPV1

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.