SCHEMBL476568

SCHEMBL476568

Cc1c(C(=O)Cc2ccccc2[N+](=O)[O-])c2cccc(Br)c2n1CCCNS(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.45
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.35
CYP2C19 P33261 1/20 0.35
CA12 O43570 1/20 0.34
GAA P10253 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
SCHEMBL476640 0.90 CNR2 (0.45) CNR2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL476609 0.89 CNR2 (0.56) CNR2
SCHEMBL476631 0.88 CNR2 (0.52) CNR2
SCHEMBL476660 0.86 CNR2 (0.52) CNR2
SCHEMBL476623 0.86 CNR2 (0.52) CNR2
SCHEMBL476687 0.84 CNR2 (0.54) CNR2ALDH1A1MEN1KMT2APOLB
SCHEMBL476585 0.84 CNR2 (0.46) CNR2
SCHEMBL476646 0.82 CNR2 (0.52) CNR2
SCHEMBL476678 0.82 CNR2 (0.52) CNR2
SCHEMBL476576 0.82 CNR2 (0.44) CNR2

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-A2 3-ACYLINDOLE DERIVATIVES THE PREPARATION AND THE THERAPEUTIC USE THEREOF sanofi-aventis (FR) 2008-08-06 EP claimed
WO-2007057571-A2 3-ACYLINDOLE DERIVATIVES THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-05-24 WO 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 31/4885ALDH1A1 182/4885MEN1 1241/4885

“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.