SCHEMBL6870071

SCHEMBL6870071

CCOC(=O)CCC(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
GAA P10253 2/20 0.53
KMT2A Q03164 1/20 0.49
CTSD P07339 1/20 0.48
MAPT P10636 4/20 0.47
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 1/20 0.45
GLA P06280 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 2/20 0.44
F2 P00734 1/20 0.44
HTT P42858 1/20 0.43

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
SCHEMBL27810164 0.89 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2GAAKMT2ACTSD
SCHEMBL30736569 0.87 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2GAAKMT2ACTSD
SCHEMBL954897 0.87 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2GAAKMT2ACTSD
SCHEMBL28012073 0.82 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2GAACTSDMAPT
SCHEMBL7800011 0.82 CTSD (0.56) ALDH1A1SMN1; SMN2GAAKMT2ACTSD
SCHEMBL1523174 0.80 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2GAAKMT2ACTSD
SCHEMBL18304676 0.80 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2GAAKMT2ACTSD
SCHEMBL29444417 0.80 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2GAAKMT2ACTSD
SCHEMBL1919090 0.79 CYP4F2 (0.63) ALDH1A1SMN1; SMN2GAAKMT2AMAPT
SCHEMBL11828669 0.79 HRH2 (0.48) ALDH1A1SMN1; SMN2GAAKMT2AMAPT

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-1399448-B1 IMIDAZO 1,5-A] PYRIMIDO 5,4-D] BENZAZEPINE DERIVATIVES AS GABA A RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2004-12-01 EP disclosed
EP-1399448-A1 IMIDAZO 1,5-A] PYRIMIDO 5,4-D] BENZAZEPINE DERIVATIVES AS GABA A RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-03-24 EP disclosed
US-6686352-B2 USEFUL AS COGNITIVE ENHANCER OR FOR THERAPY OF COGNITIVE DISORDERS LIKE ALZHEIMER'S DISEASE HOFFMANN-LA ROCHE INC. 2004-02-03 US disclosed
US-20030055042-A1 Substituted imidazo [1,5-a] pyrimido [5,4-d] [1] benzazepine derivatives F. HOFFMANN-LA ROCHE AG A SWISS COMPANY (CH) 2003-03-20 US disclosed
WO-2002094834-A1 IMIDAZO [1,5-A] PYRIMIDO [5,4-D] BENZAZEPINE DERIVATIVES AS GABA A RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-11-28 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-20030055042-A1 Substituted imidazo [1,5-a] pyrimido [5,4-d] [1] benzazepine derivatives GALR1, GALR2, ADRA1A ALDH1A1 444/4885SMN1; SMN2 4001/4885GAA 942/4885

“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.