Sugi Predict

Sugi Predict / Compounds / SCHEMBL3590265

SCHEMBL3590265

SCHEMBL3590265

COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)C[C@@H]1CCN[C@H]1c1ccccc1-3

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PRKCA P17252 1/20 0.43
▸ MMP12 P39900 1/20 0.43
▸ NR1I2 O75469 9/20 0.39
▸ KCNH2 Q12809 7/20 0.38
▸ CYP3A4 P08684 3/20 0.37
▸ SCN5A Q14524 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ SCN9A Q15858 2/20 0.37
▸ 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

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
SCHEMBL3603648 1.00 PRKCA (0.43) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL11948209 0.89 PRKCA (0.51) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL3592372 0.89 PRKCA (0.51) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL3583679 0.89 KCNH2 (0.48) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL3659420 0.83 PRKCA (0.46) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL14253376 0.83 PRKCA (0.46) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL4829851 0.83 PRKCA (0.46) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL3596298 0.83 PRKCA (0.43) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL3593989 0.82 PRKCA (0.43) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL3599755 0.81 PRKCA (0.47) PRKCAMMP12NR1I2KCNH2CYP3A4

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-8232390-B2 Pentacyclic indole derivatives as antiviral agents ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2012-07-31 — — US disclosed
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-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
US-20100009959-A1 Pentacyclic Indole Derivatives as Antiviral Agents INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-01-14 — — 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
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 PRKCA 2745/4885MMP12 3050/4885NR1I2 79/4885

“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.