SCHEMBL4414625

SCHEMBL4414625

COc1cc2c(c(OC)c1)C(c1cc(Cl)cc(Cl)c1)N(S(=O)(=O)c1ccc(Cl)cc1Cl)CC2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
FKBP1A P62942 9/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
ACLY P53396 2/20 0.40
PARP1 P09874 1/20 0.40
GRIN2C Q14957 1/20 0.40
TP53 P04637 1/20 0.38
LMNA P02545 1/20 0.38
DRD1 P21728 1/20 0.38
TRPV1 Q8NER1 1/20 0.37

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
SCHEMBL4422235 0.91 KDM4E (0.48) CA1CA2CA9CA14KDM4E
SCHEMBL4415190 0.84 CA1 (0.41) CA1CA2CA9CA14FKBP1A
SCHEMBL4413290 0.84 ALDH1A1 (0.41) CA1CA2CA9CA14FKBP1A
SCHEMBL13972868 0.82 CA1 (0.41) CA1CA2CA9CA14FKBP1A
SCHEMBL4412933 0.82 CA1 (0.41) CA1CA2CA9CA14FKBP1A
SCHEMBL4412007 0.81 MAPT (0.46) CA1CA2CA9CA14FKBP1A
SCHEMBL4414908 0.81 PKM (0.48) CA1CA2CA9CA14FKBP1A
SCHEMBL4418789 0.81 VCAM1 (0.47) CA1CA2CA9CA14FKBP1A
SCHEMBL4412965 0.79 HCRTR1 (0.44) CA1CA2CA9CA14FKBP1A
SCHEMBL13972641 0.79 GAA (0.40) CA1CA2CA9CA14FKBP1A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005105805-A1 ANNELATED CARBAMOYLASE-HETEROCYCLES, FOCUSED LIBRARY, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THE PRODUCTION THEREOF 'CHEMICAL DIVERSITY RESEARCH INSTITUTE', LTD. (RU) 2005-11-10 WO claimed
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
WO-2005105805-A1 ANNELATED CARBAMOYLASE-HETEROCYCLES, FOCUSED LIBRARY, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THE PRODUCTION THEREOF 'CHEMICAL DIVERSITY RESEARCH INSTITUTE', LTD. (RU) 2005-11-10 WO 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 CA1 2370/4885CA2 335/4885CA9 1422/4885

“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.