SCHEMBL5307352

SCHEMBL5307352

CN(c1ccccc1)c1cc(=O)n(C)c(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 1.00
KDM4C Q9H3R0 2/20 0.67
SMN1; SMN2 Q16637 4/20 0.60
BRCA1 P38398 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
CASP1 P29466 1/20 0.60
CASP7 P55210 1/20 0.60
HSD17B10 Q99714 1/20 0.60
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 3/20 0.53
HPGD P15428 3/20 0.53
THRB P10828 2/20 0.53
LMNA P02545 4/20 0.51
PKM P14618 2/20 0.51
HTT P42858 1/20 0.44
TP53 P04637 1/20 0.43
NR1I2 O75469 1/20 0.40
AHR P35869 1/20 0.40
ALOX15 P16050 2/20 0.40

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
SCHEMBL14450261 0.83 GAA (0.70) GAAKDM4CSMN1; SMN2BRCA1MEN1
SCHEMBL2183881 0.74 GAA (0.58) GAAKDM4CSMN1; SMN2BRCA1MEN1
SCHEMBL3471954 0.71 ALDH1A1 (0.62) GAAKDM4CSMN1; SMN2BRCA1MEN1
SCHEMBL14450260 0.71 GAA (0.55) GAAKDM4CSMN1; SMN2BRCA1MEN1
SCHEMBL31681882 0.70 ALDH1A1 (1.00) GAAKDM4CSMN1; SMN2BRCA1MEN1
SCHEMBL11218276 0.70 GAA (0.54) GAAKDM4CSMN1; SMN2BRCA1MEN1
SCHEMBL8892830 0.70 GAA (0.54) GAAKDM4CSMN1; SMN2BRCA1MEN1
SCHEMBL7435188 0.69 GAA (0.52) GAAKDM4CSMN1; SMN2BRCA1MEN1
SCHEMBL2182131 0.68 SMN1; SMN2 (0.61) GAAKDM4CSMN1; SMN2BRCA1MEN1
SCHEMBL2182128 0.68 SMN1; SMN2 (0.61) GAAKDM4CSMN1; SMN2BRCA1MEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853276-A2 COMPOUNDS INHIBITING THE AGGREGATION OF SUPEROXIDE DISMUTASE-1 The Brighamn and Women's Hospital, Inc. (US) 2007-11-14 EP claimed
US-20060194821-A1 Compounds inhibiting the aggregation of superoxide dismutase-1 THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-08-31 US claimed
WO-2006089221-A2 COMPOUNDS INHIBITING THE AGGREGATION OF SUPEROXIDE DISMUTASE-1 THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-08-24 WO claimed
EP-1853276-A2 COMPOUNDS INHIBITING THE AGGREGATION OF SUPEROXIDE DISMUTASE-1 The Brighamn and Women's Hospital, Inc. (US) 2007-11-14 EP disclosed
US-20060194821-A1 Compounds inhibiting the aggregation of superoxide dismutase-1 THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-08-31 US disclosed
WO-2006089221-A2 COMPOUNDS INHIBITING THE AGGREGATION OF SUPEROXIDE DISMUTASE-1 THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-08-24 WO 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-20060194821-A1 Compounds inhibiting the aggregation of superoxide dismutase-1 SOD1, SOD3, CAT GAA 132/4885KDM4C 3859/4885SMN1; SMN2 8/4885

“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.