SCHEMBL393585

SCHEMBL393585

Cc1cccc2c1-c1c(C3CCCCC3)c3ccc(C(=O)O)cc3n1C[C@@H](N(C)CCCN)CO2

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.68
MMP12 P39900 1/20 0.68
NR1I2 O75469 3/20 0.33
CYP3A4 P08684 2/20 0.32
SCN9A Q15858 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SLC22A12 Q96S37 5/20 0.32
KCNH2 Q12809 1/20 0.31
SCN5A Q14524 1/20 0.31
PIK3CA P42336 1/20 0.30
KMO O15229 1/20 0.30

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
SCHEMBL393699 0.95 PRKCA (0.70) PRKCAMMP12NR1I2CYP3A4SCN9A
SCHEMBL2279944 0.92 PRKCA (0.70) PRKCAMMP12NR1I2CYP3A4SCN9A
SCHEMBL391578 0.92 PRKCA (0.66) PRKCAMMP12NR1I2CYP3A4SCN9A
SCHEMBL396060 0.90 PRKCA (0.68) PRKCAMMP12NR1I2CYP3A4SCN9A
SCHEMBL14110584 0.90 PRKCA (0.84) PRKCAMMP12NR1I2CYP3A4SCN9A
SCHEMBL393811 0.87 PRKCA (0.63) PRKCAMMP12NR1I2CYP3A4SCN9A
SCHEMBL393721 0.86 PRKCA (0.62) PRKCAMMP12NR1I2CYP3A4SCN9A
SCHEMBL2274527 0.85 PRKCA (0.61) PRKCAMMP12NR1I2CYP3A4SCN9A
SCHEMBL394843 0.85 PRKCA (0.61) PRKCAMMP12NR1I2CYP3A4SCN9A
SCHEMBL2279328 0.85 PRKCA (0.61) PRKCAMMP12NR1I2CYP3A4SCN9A

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-8101595-B2 Antiviral indoles Istituto di Ricerche di Biologia Molecolare P. Angletti SpA (IT) 2012-01-24 US disclosed
US-20100076046-A1 Antiviral Indoles ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-03-25 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-20100076046-A1 Antiviral Indoles IDO1, ZC3HAV1, IFNAR1 PRKCA 4625/4885MMP12 2333/4885NR1I2 674/4885

“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.