SCHEMBL4412965

SCHEMBL4412965

COc1cc2c(c(OC)c1)C(c1cc(Cl)cc(Cl)c1)N(S(=O)(=O)c1ccc(OC(F)(F)F)cc1)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.44
HCRTR2 O43614 5/20 0.44
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TAS2R14 Q9NYV8 2/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
MMP1 P03956 2/20 0.41
MMP9 P14780 2/20 0.41
MMP13 P45452 1/20 0.41
PRCP P42785 1/20 0.40
CA7 P43166 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
FKBP1A P62942 3/20 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
SCHEMBL13972857 0.87 TAS2R14 (0.49) HCRTR1HCRTR2NPSR1L3MBTL1TAS2R14
SCHEMBL4552332 0.87 TAS2R14 (0.49) HCRTR1HCRTR2NPSR1L3MBTL1TAS2R14
SCHEMBL4416959 0.85 GAA (0.40) HCRTR1HCRTR2NPSR1TAS2R14CA1
SCHEMBL13972641 0.85 GAA (0.40) HCRTR1HCRTR2NPSR1TAS2R14CA1
SCHEMBL6507930 0.82 NPSR1 (0.43) HCRTR1HCRTR2NPSR1L3MBTL1TAS2R14
SCHEMBL4418789 0.81 VCAM1 (0.47) L3MBTL1TAS2R14CA1CA2CA9
SCHEMBL13972868 0.81 CA1 (0.41) TAS2R14CA1CA2CA9CA14
SCHEMBL4412933 0.81 CA1 (0.41) TAS2R14CA1CA2CA9CA14
SCHEMBL4422235 0.80 KDM4E (0.48) CA1CA2CA9CA14ALDH1A1
SCHEMBL13973059 0.80 CA1 (0.49) NPSR1TAS2R14CA1CA2CA9

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 HCRTR1 281/4885HCRTR2 218/4885NPSR1 155/4885

“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.