SCHEMBL3086956

SCHEMBL3086956

COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3/C=N\O)n(CC3OCCO3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.40
MMP12 P39900 1/20 0.40
CNR2 P34972 4/20 0.38
NR1I2 O75469 1/20 0.36
ALDH1A1 P00352 6/20 0.35
NPSR1 Q6W5P4 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CNR1 P21554 2/20 0.34
MAPK1 P28482 1/20 0.34
SCN9A Q15858 5/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 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
SCHEMBL3086958 1.00 PRKCA (0.40) PRKCAMMP12CNR2NR1I2ALDH1A1
SCHEMBL4209432 0.91 PRKCA (0.41) PRKCAMMP12CNR2NR1I2ALDH1A1
SCHEMBL4206783 0.84 PRKCA (0.40) PRKCAMMP12CNR2NR1I2ALDH1A1
SCHEMBL3092482 0.84 PRKCA (0.40) PRKCAMMP12CNR2NR1I2ALDH1A1
SCHEMBL3088667 0.82 KCNH2 (0.39) CNR2NR1I2ALDH1A1NPSR1CYP3A4
SCHEMBL3091875 0.79 PRKCA (0.40) PRKCAMMP12CNR2NR1I2ALDH1A1
SCHEMBL3583062 0.79 PRKCA (0.41) PRKCAMMP12CNR2NR1I2ALDH1A1
SCHEMBL3589949 0.78 PRKCA (0.40) PRKCAMMP12CNR2NR1I2ALDH1A1
SCHEMBL3087212 0.78 PRKCA (0.33) PRKCAMMP12CNR2ALDH1A1NPSR1
SCHEMBL3079983 0.78 ALDH1A1 (0.42) CNR2ALDH1A1NPSR1CYP3A4CYP2C9

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 3319/4885CNR2 215/4885

“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.