SCHEMBL393187

SCHEMBL393187

CNCCO[C@@H]1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)OC)cc3n2C1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.56
MMP12 P39900 1/20 0.56
NR1I2 O75469 7/20 0.36
KCNH2 Q12809 6/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
XIAP P98170 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SCN9A Q15858 3/20 0.34
SCN5A Q14524 2/20 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
SCHEMBL14110783 0.93 PRKCA (0.65) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL14110621 0.88 PRKCA (0.57) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL2277252 0.87 PRKCA (0.49) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL393140 0.86 PRKCA (0.58) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL2277949 0.86 PRKCA (0.54) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL396059 0.85 PRKCA (0.72) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL392343 0.85 PRKCA (0.59) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL394438 0.84 PRKCA (0.60) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL2275523 0.84 PRKCA (0.51) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL391577 0.84 PRKCA (0.70) 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 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.