SCHEMBL4414620

SCHEMBL4414620

COc1cc2c(c(OC)c1)C(c1cc(Cl)cc(Cl)c1)N(S(=O)(=O)Cc1ccccc1)CC2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 8/20 0.44
MTNR1B P49286 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA9 Q16790 4/20 0.42
CA14 Q9ULX7 4/20 0.42
GRIN2C Q14957 2/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL4413407 0.82 CA1 (0.41) FKBP1AMTNR1BALDH1A1CA1CA2
SCHEMBL4422235 0.78 KDM4E (0.48) ALDH1A1CYP3A4CYP2C19CA1CA2
SCHEMBL4414908 0.78 PKM (0.48) FKBP1AALDH1A1CA1CA2CA9
SCHEMBL4414625 0.78 CA1 (0.45) FKBP1AALDH1A1CA1CA2CA9
SCHEMBL4412933 0.77 CA1 (0.41) FKBP1ACA1CA2CA9CA14
SCHEMBL13972868 0.77 CA1 (0.41) FKBP1ACA1CA2CA9CA14
SCHEMBL4418374 0.76 FPR2 (0.42) FKBP1ACA1CA2CA9CA14
SCHEMBL4423024 0.75 MTNR1B (0.48) FKBP1AMTNR1BCA1CA2CA9
SCHEMBL4412965 0.75 HCRTR1 (0.44) FKBP1AALDH1A1CA1CA2CA9
SCHEMBL13973059 0.75 CA1 (0.49) FKBP1AALDH1A1CA1CA2CA9

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 4 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

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 FKBP1A 3805/4885MTNR1B 569/4885ALDH1A1 3171/4885

“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.