SCHEMBL3586813

SCHEMBL3586813

O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)Cc1nccn1Cc1ccccc1-3

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.46
MMP12 P39900 1/20 0.46
NR1I2 O75469 1/20 0.39
SCN9A Q15858 5/20 0.36
CYP3A4 P08684 4/20 0.35
CYP2C19 P33261 4/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2D6 P10635 1/20 0.35
CCKBR P32239 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.34
KMO O15229 1/20 0.33
CYP1A2 P05177 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
SCHEMBL3593523 0.90 NR1I2 (0.40) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL772286 0.87 PRKCA (0.54) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL924086 0.85 PRKCA (0.47) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL4826803 0.80 PRKCA (0.51) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL896011 0.80 PRKCA (0.51) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL30065382 0.80 PRKCA (0.51) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL14435341 0.79 PRKCA (0.50) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL773872 0.79 PRKCA (0.53) PRKCAMMP12NR1I2SCN9AKMO
SCHEMBL772130 0.79 PRKCA (0.53) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL3085838 0.79 PRKCA (0.51) PRKCAMMP12NR1I2SCN9ACYP3A4

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-20100009959-A1 Pentacyclic Indole Derivatives as Antiviral Agents INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-01-14 US claimed
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

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.