SCHEMBL476671

SCHEMBL476671

CS(=O)(=O)NCCCn1cc(C(=O)Cc2ccccc2[N+](=O)[O-])c2cccc([N+](=O)[O-])c21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
CNR2 P34972 7/20 0.42
CNR1 P21554 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
CA12 O43570 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL476589 0.94 CNR2 (0.48) ALDH1A1CNR2CNR1SMN1; SMN2POLB
SCHEMBL476642 0.93 CNR2 (0.48) ALDH1A1CNR2CNR1POLBNPC1
SCHEMBL476593 0.93 CNR2 (0.48) ALDH1A1CNR2CNR1SMN1; SMN2POLB
SCHEMBL476549 0.93 CNR2 (0.48) ALDH1A1CNR2CNR1SMN1; SMN2POLB
SCHEMBL476693 0.91 CNR2 (0.50) CNR2CNR1SMN1; SMN2CYP2C19MAPT
SCHEMBL476622 0.91 MAPT (0.39) ALDH1A1CNR2CNR1SMN1; SMN2POLB
SCHEMBL476662 0.89 CNR2 (0.40) ALDH1A1CNR2CNR1SMN1; SMN2POLB
SCHEMBL476640 0.76 CNR2 (0.45) ALDH1A1CNR2SMN1; SMN2POLBCYP2C19
SCHEMBL476568 0.76 CNR2 (0.45) ALDH1A1CNR2SMN1; SMN2POLBCYP2C19
SCHEMBL476705 0.71 HTT (0.48) ALDH1A1SMN1; SMN2POLBMEN1KMT2A

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
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
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 ALDH1A1 182/4885CNR2 31/4885CNR1 14/4885

“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.