SCHEMBL3593523

SCHEMBL3593523

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.40
PRKCA P17252 1/20 0.39
MMP12 P39900 1/20 0.39
SCN9A Q15858 6/20 0.38
CYP3A4 P08684 3/20 0.36
CYP2C19 P33261 3/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP2C9 P11712 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CYP2D6 P10635 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL3586813 0.90 PRKCA (0.46) NR1I2PRKCAMMP12SCN9ACYP3A4
SCHEMBL4823223 0.88 NR1I2 (0.47) NR1I2PRKCAMMP12SCN9ACYP3A4
SCHEMBL924718 0.86 SCN9A (0.41) NR1I2PRKCAMMP12SCN9ACYP3A4
SCHEMBL394064 0.82 NR1I2 (0.43) NR1I2PRKCAMMP12SCN9ACYP3A4
SCHEMBL12429623 0.81 SCN9A (0.43) NR1I2PRKCAMMP12SCN9ACYP3A4
SCHEMBL772587 0.80 SCN9A (0.47) NR1I2PRKCAMMP12SCN9AALDH1A1
SCHEMBL771196 0.80 SCN9A (0.49) NR1I2PRKCAMMP12SCN9ACYP3A4
SCHEMBL13940285 0.79 NR1I2 (0.42) NR1I2PRKCAMMP12SCN9ACYP3A4
SCHEMBL3565283 0.78 PRKCA (0.46) NR1I2PRKCAMMP12SCN9ACYP3A4
SCHEMBL923740 0.77 NR1I2 (0.40) NR1I2PRKCAMMP12SCN9ACYP3A4

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 2 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

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 NR1I2 79/4885PRKCA 2745/4885MMP12 3050/4885

“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.