SCHEMBL4414792

SCHEMBL4414792

COc1cc2c(c(OC)c1)C(c1cccc(OC(F)(F)F)c1)N(S(=O)(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])CC2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA9 Q16790 5/20 0.40
CA14 Q9ULX7 5/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 4/20 0.36
NPSR1 Q6W5P4 3/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
TAS2R14 Q9NYV8 2/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 2/20 0.34
CCR6 P51684 1/20 0.34
MEN1 O00255 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL4410698 0.84 NPSR1 (0.41) CA1CA2CA9CA14MAPT
SCHEMBL4414803 0.84 VCAM1 (0.41) CA1CA2CA9CA14MAPT
SCHEMBL4414695 0.84 CA1 (0.49) CA1CA2CA9CA14MAPT
SCHEMBL13972857 0.83 TAS2R14 (0.49) CA1CA2CA9CA14LMNA
SCHEMBL4552332 0.83 TAS2R14 (0.49) CA1CA2CA9CA14LMNA
SCHEMBL4423028 0.81 CA1 (0.41) CA1CA2CA9CA14MAPT
SCHEMBL13973317 0.81 CA1 (0.41) CA1CA2CA9CA14MAPT
SCHEMBL4422262 0.81 NPSR1 (0.40) CA1CA2CA9CA14LMNA
SCHEMBL4415190 0.80 CA1 (0.41) CA1CA2CA9CA14NPSR1
SCHEMBL4417162 0.79 SMN1; SMN2 (0.43) CA1CA2CA9CA14MAPT

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-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
EP-1663983-A1 N-SUBSTITUTED, 6,8-DIALKOXY-1,2,3,4-TETRAHYDRO-1H-ISOQUINOLINE AS POTASSIUM CHANNELS MODULATORS 4SC AG (DE) 2006-06-07 EP disclosed
US-20050070570-A1 Novel potassium channels modulators 4SC AG (DE) 2005-03-31 US disclosed
WO-2004113302-A1 N-SUBSTITUTED 6,8-DIALKOXY-1,2,3,4-TETRAHYDRO-1H-ISOQUINOLINE AS POTASSIUM CHANNELS MODULATORS 4SC AG (DE) 2004-12-29 WO disclosed
EP-1489071-A1 N-substituted, 3,4-dihydro-1H-isoquinoline as potassium channels modulators 4SC AG (DE) 2004-12-22 EP 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 CA1 2370/4885CA2 335/4885CA9 1422/4885

“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.