SCHEMBL4422266

SCHEMBL4422266

COc1cc2c(c(OC)c1)C(c1cccc(OC(F)(F)F)c1)N(S(=O)(=O)c1c(Cl)nc3sccn13)CC2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.40
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MET P08581 6/20 0.34
RORC P51449 2/20 0.34
TPH1 P17752 2/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
GRIN2C Q14957 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
FKBP1A P62942 1/20 0.33

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
SCHEMBL6505778 0.85 HTR6 (0.44) HTR6METTPH1GRIN2CCA1
SCHEMBL4417162 0.81 SMN1; SMN2 (0.43) NPSR1L3MBTL1TAS2R14HCRTR1CA1
SCHEMBL6030159 0.79 NPSR1 (0.41) NPSR1L3MBTL1TAS2R14HCRTR1HCRTR2
SCHEMBL4552332 0.79 TAS2R14 (0.49) NPSR1L3MBTL1TAS2R14HCRTR1HCRTR2
SCHEMBL13972857 0.79 TAS2R14 (0.49) NPSR1L3MBTL1TAS2R14HCRTR1HCRTR2
SCHEMBL13973317 0.79 CA1 (0.41) NPSR1L3MBTL1TAS2R14HCRTR1HCRTR2
SCHEMBL4423028 0.79 CA1 (0.41) NPSR1L3MBTL1TAS2R14HCRTR1HCRTR2
SCHEMBL4422262 0.78 NPSR1 (0.40) NPSR1L3MBTL1TAS2R14HCRTR1HCRTR2
SCHEMBL4415190 0.78 CA1 (0.41) NPSR1L3MBTL1TAS2R14HCRTR1HCRTR2
SCHEMBL4413385 0.78 FPR2 (0.37) NPSR1L3MBTL1TAS2R14HCRTR1HCRTR2

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 HTR6 534/4885NPSR1 155/4885L3MBTL1 2533/4885

“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.