SCHEMBL4422237

SCHEMBL4422237

COc1cc2c(c(OC)c1)C(c1cccc(OC(F)(F)F)c1)N(C(=O)C1COc3ccccc3O1)CC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
HSD11B1 P28845 1/20 0.42
GAA P10253 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
DNMT1 P26358 1/20 0.41
CASP6 P55212 1/20 0.41
MCL1 Q07820 1/20 0.41
CASP8 Q14790 1/20 0.41
ALDH1A1 P00352 6/20 0.41
HPGD P15428 5/20 0.41
ADRA1D P25100 4/20 0.41
ADRA1A P35348 4/20 0.41
ADRA1B P35368 4/20 0.41
THRB P10828 1/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 4/20 0.40
MMP1 P03956 1/20 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
SCHEMBL4413361 0.84 SMN1; SMN2 (0.56) SMN1; SMN2HSD11B1GAATDP1L3MBTL1
SCHEMBL4418264 0.83 MTNR1B (0.52) TSHRKMT2ATACR1NPSR1MEN1
SCHEMBL4417027 0.83 MTNR1B (0.47) ALDH1A1NPC1KMT2AHTTRAB9A
SCHEMBL4416800 0.81 SMN1; SMN2 (0.56) SMN1; SMN2HSD11B1GAATDP1L3MBTL1
SCHEMBL4423047 0.80 GRIN2C (0.51) MAPTKMT2ANPSR1MEN1LMNA
SCHEMBL4416192 0.80 GRIN2C (0.47) MAPTKMT2ANPSR1MEN1LMNA
SCHEMBL4418256 0.80 KMT2A (0.52) MAPTKMT2APDE4DNPSR1MEN1
SCHEMBL4413447 0.80 KMT2A (0.55) KMT2APDE4DNPSR1MEN1TP53
SCHEMBL4421033 0.79 MTNR1B (0.41) L3MBTL1NPC1KMT2APOLBRAB9A
SCHEMBL4416972 0.78 GRIN2C (0.41) SMN1; SMN2ALDH1A1HPGDMAPTTSHR

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 4121/4885HSD11B1 1380/4885GAA 4508/4885

“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.