SCHEMBL476593

SCHEMBL476593

CS(=O)(=O)NCCCn1cc(C(=O)Cc2ccccc2Cl)c2cccc([N+](=O)[O-])c21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.48
CNR1 P21554 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CDK2 P24941 1/20 0.35
PRPS1 P60891 1/20 0.35

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 0.93 ALDH1A1 (0.42) CNR2CNR1SMN1; SMN2NPC1CYP2C19
SCHEMBL476589 0.90 CNR2 (0.48) CNR2CNR1SMN1; SMN2NPC1CYP2C19
SCHEMBL476549 0.90 CNR2 (0.48) CNR2CNR1SMN1; SMN2CYP2C19MAPT
SCHEMBL476642 0.90 CNR2 (0.48) CNR2CNR1NPC1RAB9AMAPT
SCHEMBL476693 0.88 CNR2 (0.50) CNR2CNR1SMN1; SMN2CYP3A4CYP2D6
SCHEMBL476622 0.87 MAPT (0.39) CNR2CNR1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL476662 0.85 CNR2 (0.40) CNR2CNR1SMN1; SMN2MAPTALDH1A1
SCHEMBL476592 0.72 CNR2 (0.56) CNR2CNR1MAPK1
SCHEMBL476640 0.70 CNR2 (0.45) CNR2SMN1; SMN2NPC1CYP3A4CYP2D6
SCHEMBL476568 0.70 CNR2 (0.45) CNR2SMN1; SMN2NPC1CYP2C19RAB9A

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 31/4885CNR1 14/4885SMN1; SMN2 2155/4885

“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.