SCHEMBL395445

SCHEMBL395445

COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(CN(C)CCN(C)CCCS(N)(=O)=O)N(C)c1ccccc1-3

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.42
MMP12 P39900 1/20 0.42
NR1I2 O75469 8/20 0.40
KCNH2 Q12809 7/20 0.37
CYP3A4 P08684 3/20 0.37
SCN5A Q14524 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SCN9A Q15858 3/20 0.36
RXRA P19793 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
SCHEMBL395378 0.92 PRKCA (0.50) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL393139 0.89 PRKCA (0.39) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL2277958 0.87 PRKCA (0.46) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL2278540 0.84 PRKCA (0.43) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL391531 0.82 PRKCA (0.46) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL395104 0.80 PRKCA (0.65) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL394394 0.79 PRKCA (0.46) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL393270 0.78 PRKCA (0.51) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL4213725 0.78 NR1I2 (0.44) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL4213738 0.77 NR1I2 (0.42) PRKCAMMP12NR1I2KCNH2CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121707-B1 ANTIVIRAL INDOLES ANGELETTI P IST RICHERCHE BIO (IT) 2012-12-05 EP disclosed
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.