SCHEMBL4414908

SCHEMBL4414908

COc1cc2c(c(OC)c1)C(c1cc(Cl)cc(Cl)c1)N(S(=O)(=O)c1cccs1)CC2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
MAPK1 P28482 1/20 0.40
FKBP1A P62942 2/20 0.40
GRIN2C Q14957 1/20 0.39
PARP1 P09874 1/20 0.39
RAB9A P51151 1/20 0.38
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
LMNA P02545 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
SCHEMBL4417162 0.82 SMN1; SMN2 (0.43) PKMALDH1A1SMN1; SMN2CA1CA2
SCHEMBL4411990 0.82 ALDH1A1 (0.47) PKMALDH1A1SMN1; SMN2MAPK1FKBP1A
SCHEMBL4422235 0.82 KDM4E (0.48) ALDH1A1SMN1; SMN2CA1CA2CA9
SCHEMBL4412007 0.81 MAPT (0.46) CA1CA2CA9CA14FKBP1A
SCHEMBL4414625 0.81 CA1 (0.45) ALDH1A1CA1CA2CA9CA14
SCHEMBL13972868 0.81 CA1 (0.41) CA1CA2CA9CA14FKBP1A
SCHEMBL4412933 0.81 CA1 (0.41) CA1CA2CA9CA14FKBP1A
SCHEMBL4414620 0.78 FKBP1A (0.44) ALDH1A1CA1CA2CA9CA14
SCHEMBL6505778 0.78 HTR6 (0.44) CA1CA2CA9CA14GRIN2C
SCHEMBL4412965 0.78 HCRTR1 (0.44) PKMALDH1A1CA1CA2CA9

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 PKM 1619/4885ALDH1A1 3171/4885SMN1; SMN2 4121/4885

“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.