SCHEMBL4411990

SCHEMBL4411990

COc1cc2c(c(OC)c1)C(c1ccco1)N(S(=O)(=O)c1cccs1)CC2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
PKM P14618 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.39
FKBP1A P62942 2/20 0.39
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
PARP1 P09874 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 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
SCHEMBL4414378 0.83 PKM (0.41) ALDH1A1PKMFKBP1APARP1LMNA
SCHEMBL4414908 0.82 PKM (0.48) ALDH1A1PKMSMN1; SMN2MAPK1FKBP1A
SCHEMBL4413290 0.80 ALDH1A1 (0.41) ALDH1A1FKBP1APARP1RAB9AKDM4E
SCHEMBL6507930 0.79 NPSR1 (0.43) PKMFKBP1AKMT2AMEN1LMNA
SCHEMBL4421998 0.78 CA1 (0.46) ALDH1A1MAPK1FKBP1AKMT2AMEN1
SCHEMBL4417162 0.78 SMN1; SMN2 (0.43) ALDH1A1PKMSMN1; SMN2MAPK1FKBP1A
SCHEMBL4418766 0.77 MTNR1B (0.51) ALDH1A1SMN1; SMN2MAPK1FKBP1APARP1
SCHEMBL4425654 0.77 TAS2R14 (0.43) FKBP1A
SCHEMBL4424185 0.75 LMNA (0.42) ALDH1A1SMN1; SMN2LMNAGAAHPGD
SCHEMBL4417014 0.73 MTNR1B (0.44) ALDH1A1SMN1; SMN2FKBP1APARP1KDM4E

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 ALDH1A1 3171/4885PKM 1619/4885SMN1; 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.