SCHEMBL4416959

SCHEMBL4416959

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
CNR1 P21554 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
FKBP1A P62942 4/20 0.39
PARP1 P09874 1/20 0.39
LMNA P02545 3/20 0.38
TSHR P16473 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 1/20 0.38
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
DRD1 P21728 1/20 0.36
TAS2R14 Q9NYV8 2/20 0.36
KMT2A Q03164 1/20 0.36
CA7 P43166 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
SCHEMBL13972641 1.00 GAA (0.40) GAACNR1HCRTR1HCRTR2CA1
SCHEMBL4412965 0.85 HCRTR1 (0.44) HCRTR1HCRTR2CA1CA2CA9
SCHEMBL4414414 0.83 KMT2A (0.45) GAACNR1HCRTR1HCRTR2FKBP1A
SCHEMBL4410698 0.83 NPSR1 (0.41) GAACNR1HCRTR1HCRTR2CA1
SCHEMBL4412933 0.82 CA1 (0.41) CA1CA2CA9CA14FKBP1A
SCHEMBL13972868 0.82 CA1 (0.41) CA1CA2CA9CA14FKBP1A
SCHEMBL4422235 0.80 KDM4E (0.48) CA1CA2CA9CA14PARP1
SCHEMBL4418789 0.79 VCAM1 (0.47) CA1CA2CA9CA14FKBP1A
SCHEMBL4414625 0.79 CA1 (0.45) CA1CA2CA9CA14FKBP1A
SCHEMBL4418374 0.79 FPR2 (0.42) GAACA1CA2CA9CA14

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 GAA 4508/4885CNR1 73/4885HCRTR1 281/4885

“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.