SCHEMBL4414378

SCHEMBL4414378

COc1cc2c(c(OC)c1)C(c1ccco1)N(S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)CC2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
FKBP1A P62942 7/20 0.40
PARP1 P09874 1/20 0.39
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA9 Q16790 4/20 0.38
CA14 Q9ULX7 4/20 0.38
MTNR1B P49286 1/20 0.37
DRD1 P21728 1/20 0.37
TAS2R14 Q9NYV8 2/20 0.36
GRIN2C Q14957 1/20 0.36
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MDM2 Q00987 1/20 0.35

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
SCHEMBL4411990 0.83 ALDH1A1 (0.47) PKMFKBP1APARP1LMNAALDH1A1
SCHEMBL6507930 0.83 NPSR1 (0.43) PKMFKBP1ATAS2R14LMNA
SCHEMBL4413290 0.81 ALDH1A1 (0.41) FKBP1APARP1CA1CA2CA9
SCHEMBL4421998 0.79 CA1 (0.46) FKBP1ACA1CA2CA9CA14
SCHEMBL4412933 0.79 CA1 (0.41) FKBP1APARP1CA1CA2CA9
SCHEMBL13972868 0.79 CA1 (0.41) FKBP1APARP1CA1CA2CA9
SCHEMBL4418766 0.79 MTNR1B (0.51) FKBP1APARP1MTNR1BDRD1GRIN2C
SCHEMBL4425654 0.79 TAS2R14 (0.43) FKBP1AMTNR1BTAS2R14GRIN2C
SCHEMBL4422262 0.78 NPSR1 (0.40) FKBP1APARP1CA1CA2CA9
SCHEMBL4424185 0.76 LMNA (0.42) LMNAALDH1A1MAPT

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-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

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 PKM 1619/4885FKBP1A 3805/4885PARP1 4676/4885

“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.