SCHEMBL476644

SCHEMBL476644

Cc1ccc2c(C(=O)Cc3ccccc3Cl)c(C)n(CCCNS(C)(=O)=O)c2c1Br

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.49
TP53 P04637 2/20 0.34
THRB P10828 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
LMNA P02545 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3R2 O00459 1/20 0.33
PIK3CG P48736 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
KCNJ6 P48051 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33

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
SCHEMBL476623 0.88 CNR2 (0.52) CNR2TDP1MAPK1
SCHEMBL476592 0.88 CNR2 (0.56) CNR2TDP1MAPK1
SCHEMBL476689 0.87 CNR2 (0.39) CNR2TP53TDP1ALDH1A1
SCHEMBL4674204 0.86 CNR2 (0.45) CNR2THRBLMNAPIK3CDPIK3R2
SCHEMBL476678 0.85 CNR2 (0.52) CNR2TDP1
SCHEMBL476543 0.85 CNR2 (0.52) CNR2LMNA
SCHEMBL476545 0.84 CNR2 (0.51) CNR2TP53THRBTDP1
SCHEMBL476630 0.81 TRPV4 (0.34) CNR2TDP1ALDH1A1
SCHEMBL476631 0.81 CNR2 (0.52) CNR2TDP1
SCHEMBL476609 0.81 CNR2 (0.56) CNR2TDP1

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 5 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

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 31/4885TP53 4341/4885THRB 3253/4885

“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.