SCHEMBL3593778

SCHEMBL3593778

O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)C[C@@H]1CCN(CCCN2CCCCC2)[C@H]1c1ccccc1-3

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.48
MMP12 P39900 1/20 0.48
SCN9A Q15858 1/20 0.37
KDM4E B2RXH2 6/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NR1I2 O75469 6/20 0.35
ALDH1A1 P00352 5/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
CNR2 P34972 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PKM P14618 1/20 0.33
KCNH2 Q12809 2/20 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
SCHEMBL11948211 0.95 PRKCA (0.49) PRKCAMMP12SCN9AKDM4EL3MBTL1
SCHEMBL3596309 0.95 PRKCA (0.49) PRKCAMMP12SCN9AKDM4EL3MBTL1
SCHEMBL3594158 0.92 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL3591161 0.90 PRKCA (0.51) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL3582692 0.89 PRKCA (0.50) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL11948220 0.89 PRKCA (0.50) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL3587572 0.89 PRKCA (0.58) PRKCAMMP12SCN9ANR1I2CNR2
SCHEMBL3594085 0.87 PRKCA (0.60) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL3590144 0.87 PRKCA (0.60) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL3586806 0.87 PRKCA (0.50) PRKCAMMP12SCN9ANR1I2CYP3A4

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 3050/4885SCN9A 4520/4885

“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.