SCHEMBL476589

SCHEMBL476589

Cc1ccccc1CC(=O)c1cn(CCCNS(C)(=O)=O)c2c([N+](=O)[O-])cccc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.48
CNR1 P21554 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.35
POLB P06746 2/20 0.34
CYP2C19 P33261 1/20 0.34
NPY5R Q15761 1/20 0.34
CDK2 P24941 1/20 0.34
NQO2 P16083 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
SCHEMBL476671 0.94 ALDH1A1 (0.42) CNR2CNR1SMN1; SMN2MEN1KMT2A
SCHEMBL476549 0.92 CNR2 (0.48) CNR2CNR1SMN1; SMN2MEN1KMT2A
SCHEMBL476642 0.90 CNR2 (0.48) CNR2CNR1NPC1RAB9AALDH1A1
SCHEMBL476593 0.90 CNR2 (0.48) CNR2CNR1SMN1; SMN2MEN1KMT2A
SCHEMBL476693 0.89 CNR2 (0.50) CNR2CNR1SMN1; SMN2MAPTCYP2C19
SCHEMBL476622 0.88 MAPT (0.39) CNR2CNR1SMN1; SMN2ALDH1A1MAPT
SCHEMBL476662 0.86 CNR2 (0.40) CNR2CNR1SMN1; SMN2ALDH1A1MAPT
SCHEMBL476568 0.72 CNR2 (0.45) CNR2SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL476640 0.72 CNR2 (0.45) CNR2SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL476705 0.69 HTT (0.48) SMN1; SMN2MEN1KMT2AALDH1A1MAPT

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.