SCHEMBL4421998

SCHEMBL4421998

COc1cc2c(c(OC)c1)C(c1ccco1)N(S(=O)(=O)c1cccc([N+](=O)[O-])c1)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA9 Q16790 4/20 0.46
CA14 Q9ULX7 4/20 0.46
FKBP1A P62942 2/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 6/20 0.42
LMNA P02545 4/20 0.42
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 2/20 0.41
F2 P00734 1/20 0.41
KDM4E B2RXH2 2/20 0.41
THRB P10828 2/20 0.41
MAPK1 P28482 1/20 0.40
IDO1 P14902 1/20 0.40
USP2 O75604 1/20 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
SCHEMBL4413282 0.84 CA1 (0.49) CA1CA2CA9CA14FKBP1A
SCHEMBL13973059 0.84 CA1 (0.49) CA1CA2CA9CA14FKBP1A
SCHEMBL6507930 0.81 NPSR1 (0.43) FKBP1AKMT2AMEN1LMNAL3MBTL1
SCHEMBL4425654 0.81 TAS2R14 (0.43) FKBP1APOLBTDP1L3MBTL1
SCHEMBL4414695 0.80 CA1 (0.49) CA1CA2CA9CA14FKBP1A
SCHEMBL4414378 0.79 PKM (0.41) CA1CA2CA9CA14FKBP1A
SCHEMBL4424185 0.78 LMNA (0.42) ALDH1A1LMNAMAPTHPGD
SCHEMBL4411990 0.78 ALDH1A1 (0.47) FKBP1AKMT2AMEN1ALDH1A1LMNA
SCHEMBL4413290 0.77 ALDH1A1 (0.41) CA1CA2CA9CA14FKBP1A
SCHEMBL4418766 0.74 MTNR1B (0.51) FKBP1AKMT2AMEN1POLBALDH1A1

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 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.