SCHEMBL3093385

SCHEMBL3093385

COC(=O)CCn1c(-c2ccccc2CNCCN(C)C)c(C2CCCCC2)c2ccc(C(=O)OC)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.42
MMP12 P39900 1/20 0.42
RXRA P19793 1/20 0.38
NR1I2 O75469 4/20 0.34
SCN9A Q15858 3/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
DPP4 P27487 1/20 0.33
CNR2 P34972 2/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
KCNH2 Q12809 2/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
SCN5A Q14524 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL3095978 0.94 PRKCA (0.44) PRKCAMMP12RXRANR1I2SCN9A
SCHEMBL3083490 0.89 PRKCA (0.45) PRKCAMMP12RXRANR1I2SCN9A
SCHEMBL3096329 0.88 PRKCA (0.42) PRKCAMMP12RXRANR1I2SCN9A
SCHEMBL3084086 0.88 PRKCA (0.41) PRKCAMMP12RXRANR1I2SCN9A
SCHEMBL3093138 0.83 PRKCA (0.37) PRKCAMMP12RXRANR1I2SCN9A
SCHEMBL3088640 0.83 PRKCA (0.40) PRKCAMMP12RXRANR1I2SCN9A
SCHEMBL5307726 0.81 PRKCA (0.48) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL3085253 0.77 SCN9A (0.40) PRKCAMMP12NR1I2SCN9ACD274
SCHEMBL3563946 0.77 PRKCA (0.35) PRKCAMMP12RXRANR1I2SCN9A
SCHEMBL3098792 0.77 PRKCA (0.36) PRKCAMMP12RXRANR1I2SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795247-B2 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-09-14 US disclosed
EP-1807403-A2 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2007-07-18 EP disclosed
US-20060100262-A1 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICHERCHEDI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IRMB) (IT) 2006-05-11 US disclosed
WO-2006046030-A2 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-05-04 WO 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-20060100262-A1 Tetracyclic indole derivatives as antiviral agents IDO1, ZC3HAV1, IDO2 PRKCA 3874/4885MMP12 3319/4885RXRA 1248/4885

“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.