SCHEMBL4416800

SCHEMBL4416800

COc1cc2c(c(OC)c1)C(c1ccco1)N(C(=O)C1COc3ccccc3O1)CC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 6/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 1/20 0.46
HSD11B1 P28845 1/20 0.46
GAA P10253 2/20 0.45
HPGD P15428 5/20 0.45
THRB P10828 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
DNMT1 P26358 1/20 0.45
CASP6 P55212 1/20 0.45
MCL1 Q07820 1/20 0.45
CASP8 Q14790 1/20 0.45
ADRA1D P25100 4/20 0.44
ADRA1A P35348 4/20 0.44
ADRA1B P35368 4/20 0.44
HSD17B10 Q99714 3/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 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
SCHEMBL4413361 0.85 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1MAPTTSHRHSD11B1
SCHEMBL4418766 0.82 MTNR1B (0.51) SMN1; SMN2ALDH1A1MAPTTSHRGAA
SCHEMBL4422237 0.81 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1MAPTTSHRHSD11B1
SCHEMBL4417014 0.77 MTNR1B (0.44) SMN1; SMN2ALDH1A1MAPTTSHRGAA
SCHEMBL4423031 0.77 NPC1 (0.53) SMN1; SMN2ALDH1A1MAPTTSHRHPGD
SCHEMBL13973325 0.76 ALDH1A1 (0.63) SMN1; SMN2ALDH1A1MAPTTSHRGAA
SCHEMBL4421922 0.74 KMT2A (0.46) SMN1; SMN2ALDH1A1MAPTTSHRGAA
SCHEMBL4418806 0.73 GRIN2C (0.49) SMN1; SMN2ALDH1A1MAPTTSHRGAA
SCHEMBL4418463 0.73 GRIN2C (0.53) SMN1; SMN2ALDH1A1MAPTTSHRHPGD
SCHEMBL4413414 0.72 HTT (0.43) SMN1; SMN2ALDH1A1MAPTTSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663983-B1 N-SUBSTITUTED, 6,8-DIALKOXY-1,2,3,4-TETRAHYDRO-1H-ISOQUINOLINE AS POTASSIUM CHANNELS MODULATORS 4SC AG (DE) 2009-01-21 EP disclosed
US-20050070570-A1 Novel potassium channels modulators 4SC AG (DE) 2005-03-31 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-20050070570-A1 Novel potassium channels modulators HCN4, KCNA4, KCNN4 SMN1; SMN2 4121/4885ALDH1A1 3171/4885MAPT 4806/4885

“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.