SCHEMBL3584897

SCHEMBL3584897

COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC1C(=O)N(CCN(C)C)CC(=O)N1Cc1ccccc1-3

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.47
MMP12 P39900 1/20 0.47
NR1I2 O75469 6/20 0.38
RXRA P19793 1/20 0.37
SCN9A Q15858 2/20 0.35
KCNH2 Q12809 5/20 0.34
CYP3A4 P08684 3/20 0.34
SCN5A Q14524 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL3597166 0.88 PRKCA (0.47) PRKCAMMP12NR1I2RXRASCN9A
SCHEMBL3080352 0.87 PRKCA (0.48) PRKCAMMP12NR1I2RXRASCN9A
SCHEMBL3074886 0.85 PRKCA (0.46) PRKCAMMP12NR1I2RXRASCN9A
SCHEMBL3087256 0.81 PRKCA (0.48) PRKCAMMP12NR1I2RXRASCN9A
SCHEMBL3575179 0.79 PRKCA (0.63) PRKCAMMP12NR1I2RXRASCN9A
SCHEMBL4823223 0.79 NR1I2 (0.47) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL3573742 0.78 PRKCA (0.52) PRKCAMMP12NR1I2RXRASCN9A
SCHEMBL14253294 0.78 PRKCA (0.48) PRKCAMMP12NR1I2RXRASCN9A
SCHEMBL895175 0.78 PRKCA (0.57) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL4200779 0.78 PRKCA (0.49) PRKCAMMP12NR1I2RXRASCN9A

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 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.