SCHEMBL4413290

SCHEMBL4413290

COc1cc2c(c(OC)c1)C(c1ccco1)N(S(=O)(=O)c1ccc(Cl)cc1Cl)CC2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
ALOX12 P18054 1/20 0.41
FKBP1A P62942 13/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
GRIN2C Q14957 1/20 0.39
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
PARP1 P09874 1/20 0.37
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 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
SCHEMBL4414625 0.84 CA1 (0.45) ALDH1A1FKBP1ACA1CA2CA9
SCHEMBL4414378 0.81 PKM (0.41) ALDH1A1FKBP1ACA1CA2CA9
SCHEMBL4411990 0.80 ALDH1A1 (0.47) ALDH1A1FKBP1AKDM4EHPGDRAB9A
SCHEMBL4415190 0.79 CA1 (0.41) FKBP1ACA1CA2CA9CA14
SCHEMBL4424185 0.79 LMNA (0.42) ALDH1A1HPGDHCRTR1HCRTR2
SCHEMBL6507930 0.78 NPSR1 (0.43) FKBP1AHCRTR1HCRTR2
SCHEMBL4421998 0.77 CA1 (0.46) ALDH1A1FKBP1ACA1CA2CA9
SCHEMBL4418766 0.76 MTNR1B (0.51) ALDH1A1FKBP1AGRIN2CKDM4EPOLB
SCHEMBL4425654 0.76 TAS2R14 (0.43) FKBP1AGRIN2CPOLB
SCHEMBL4422235 0.76 KDM4E (0.48) ALDH1A1CA1CA2CA9CA14

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 3 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
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 ALDH1A1 3171/4885ALOX12 2225/4885FKBP1A 3805/4885

“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.