SCHEMBL476693

SCHEMBL476693

COc1ccccc1CC(=O)c1cn(CCCNS(C)(=O)=O)c2c([N+](=O)[O-])cccc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.50
LMNA P02545 3/20 0.44
TDP1 Q9NUW8 2/20 0.43
PRKCG P05129 1/20 0.39
PRKCB P05771 1/20 0.39
PRKCA P17252 1/20 0.39
GSK3B P49841 1/20 0.39
CNR1 P21554 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL476671 0.91 ALDH1A1 (0.42) CNR2CNR1MAPTSMN1; SMN2CYP2C19
SCHEMBL476662 0.90 CNR2 (0.40) CNR2LMNATDP1PRKCGPRKCB
SCHEMBL476589 0.89 CNR2 (0.48) CNR2CNR1MAPTSMN1; SMN2CYP2C19
SCHEMBL476593 0.88 CNR2 (0.48) CNR2CNR1MAPTKDM4EPKM
SCHEMBL476642 0.88 CNR2 (0.48) CNR2CNR1MAPT
SCHEMBL476549 0.88 CNR2 (0.48) CNR2CNR1MAPTSMN1; SMN2CYP2C19
SCHEMBL476622 0.86 MAPT (0.39) CNR2CNR1MAPTSMN1; SMN2CYP1A2
SCHEMBL476651 0.70 CNR2 (0.54) CNR2PRKCGPRKCBPRKCAGSK3B
SCHEMBL476647 0.70 CNR2 (0.54) CNR2PRKCGPRKCBPRKCAGSK3B
SCHEMBL476687 0.70 CNR2 (0.54) CNR2PRKCGPRKCBPRKCAGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951225-B1 3-ACYLINDOLE DERIVATIVES THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI SA (FR) 2012-02-01 EP claimed
US-20080275102-A1 3-ACYLINDOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-11-06 US claimed
EP-1951225-B1 3-ACYLINDOLE DERIVATIVES THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI SA (FR) 2012-02-01 EP disclosed
US-7741363-B2 3-Acylindole derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-06-22 US disclosed
US-20080275102-A1 3-ACYLINDOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-11-06 US disclosed
EP-1951225-A2 3-ACYLINDOLE DERIVATIVES THE PREPARATION AND THE THERAPEUTIC USE THEREOF sanofi-aventis (FR) 2008-08-06 EP disclosed
WO-2007057571-A2 3-ACYLINDOLE DERIVATIVES THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-05-24 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-20080275102-A1 3-ACYLINDOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF F12, ECI1, NQO2 CNR2 31/4885LMNA 1750/4885TDP1 2098/4885

“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.