SCHEMBL476705

SCHEMBL476705

CS(=O)(=O)NCCCn1ccc2cccc([N+](=O)[O-])c21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
MAPT P10636 4/20 0.42
ALDH1A1 P00352 4/20 0.41
POLB P06746 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.36
NPY5R Q15761 3/20 0.36
NQO2 P16083 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL24130455 0.75 ALDH1A1 (0.43) MAPTALDH1A1SMN1; SMN2GAALMNA
SCHEMBL2868944 0.73 ALDH1A1 (0.47) HTTMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL476708 0.73 HTT (0.46) HTTMAPTALDH1A1POLBLMNA
SCHEMBL476671 0.71 ALDH1A1 (0.42) MAPTALDH1A1POLBSMN1; SMN2GAA
SCHEMBL15803828 0.71 HTT (0.47) HTTMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL13139569 0.70 ALDH1A1 (0.44) MAPTALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL14876425 0.70 ALDH1A1 (0.47) HTTMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL3593138 0.70 GAA (0.53) MAPTALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL476589 0.69 CNR2 (0.48) MAPTALDH1A1POLBSMN1; SMN2NPY5R
SCHEMBL476549 0.69 CNR2 (0.48) MAPTALDH1A1POLBSMN1; SMN2NPY5R

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 3 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 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 HTT 1044/4885MAPT 3394/4885ALDH1A1 182/4885

“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.