SCHEMBL3574582

SCHEMBL3574582

COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(N)CNc1ccccc1-3

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.44
MMP12 P39900 1/20 0.44
SCN9A Q15858 4/20 0.39
NR1I2 O75469 7/20 0.38
KCNH2 Q12809 6/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 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
CYP3A4 P08684 2/20 0.35
SCN5A Q14524 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL14253454 0.87 PRKCA (0.46) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL4825561 0.85 SCN9A (0.45) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL13941052 0.85 PRKCA (0.46) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL3577991 0.85 SCN9A (0.47) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL391108 0.84 PRKCA (0.45) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL14435440 0.82 PRKCA (0.39) PRKCAMMP12SCN9ANR1I2BRD4
SCHEMBL395908 0.82 PRKCA (0.59) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL925855 0.81 CDK1 (0.46) PRKCAMMP12SCN9ANR1I2BRD4
SCHEMBL923845 0.80 NR1I2 (0.44) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL3576170 0.80 CREBBP (0.46) PRKCAMMP12SCN9ANR1I2KCNH2

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-7662809-B2 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2010-02-16 US disclosed
US-20080261938-A1 Tetracyclic Indole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-10-23 US disclosed
EP-1807397-A2 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2007-07-18 EP disclosed
WO-2006046039-A2 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-05-04 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-20080261938-A1 Tetracyclic Indole Derivatives as Antiviral Agents IDO1, IDO2, HAVCR2 PRKCA 4232/4885MMP12 2495/4885SCN9A 3739/4885

“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.