SCHEMBL4414803

SCHEMBL4414803

COc1cc2c(c(OC)c1)C(c1cccc(OC(F)(F)F)c1)N(S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CC2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA9 Q16790 4/20 0.41
CA14 Q9ULX7 4/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TAS2R14 Q9NYV8 2/20 0.39
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38
FKBP1A P62942 1/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL4414695 0.89 CA1 (0.49) CA1CA2CA9CA14KMT2A
SCHEMBL4552332 0.87 TAS2R14 (0.49) CA1CA2CA9CA14KMT2A
SCHEMBL13972857 0.87 TAS2R14 (0.49) CA1CA2CA9CA14KMT2A
SCHEMBL4418789 0.84 VCAM1 (0.47) VCAM1CA1CA2CA9CA14
SCHEMBL4414792 0.84 CA1 (0.40) CA1CA2CA9CA14KMT2A
SCHEMBL4425699 0.84 TAS2R14 (0.41) L3MBTL1NPSR1TAS2R14LMNA
SCHEMBL4410698 0.83 NPSR1 (0.41) CA1CA2CA9CA14KMT2A
SCHEMBL4415190 0.83 CA1 (0.41) CA1CA2CA9CA14L3MBTL1
SCHEMBL4423028 0.82 CA1 (0.41) CA1CA2CA9CA14KMT2A
SCHEMBL13973317 0.82 CA1 (0.41) CA1CA2CA9CA14KMT2A

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 VCAM1 3427/4885CA1 2370/4885CA2 335/4885

“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.