SCHEMBL3874512

SCHEMBL3874512

CN1CCc2c([nH]c3ccc(NS(=O)(=O)c4csc5ccccc45)cc23)C1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.44
TP53 P04637 3/20 0.41
MAPT P10636 2/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
HTR6 P50406 1/20 0.41
EGFR P00533 1/20 0.41
GHSR Q92847 1/20 0.40
ABCB1 P08183 4/20 0.39
ABCG2 Q9UNQ0 4/20 0.39
SIGMAR1 Q99720 2/20 0.38
MAPKAPK2 P49137 1/20 0.38

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
SCHEMBL4028409 0.82 BRD4 (0.52) KIF11TP53MAPTHTR1AHTR6
SCHEMBL3877938 0.80 KDM4E (0.50) TP53MAPTHTR1AADRA2AHTR6
SCHEMBL3881116 0.76 HTR1A (0.42) TP53MAPTHTR1AADRA2AHTR6
SCHEMBL3885118 0.73 KDM4E (0.50) HTR1AADRA2AHTR6GHSR
SCHEMBL17518851 0.73 ADRA1D (0.64) KIF11MAPTEGFRABCB1ABCG2
SCHEMBL3887616 0.72 HTR6 (0.41) HTR1AADRA2AHTR6SIGMAR1
SCHEMBL1120736 0.72 KIF11 (0.77) KIF11TP53ABCG2
SCHEMBL3875992 0.71 KIF11 (0.59) KIF11TP53MAPTEGFRABCB1
SCHEMBL29188190 0.69 ADRA1D (0.66) KIF11TP53EGFRABCB1ABCG2
SCHEMBL3878688 0.69 KIF11 (0.54) KIF11TP53MAPTEGFRABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919475-B1 TETRAHYDRO- BETA-CARBOLIN-SULFONAMIDE DERIVATIVES AS 5-HT6 LIGANDS ESTEVE LABOR DR (ES) 2009-03-11 EP claimed
US-8263609-B2 Tetrahydro-β-carbolin-sulfonamide derivatives as 5-Ht6 ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-09-11 US disclosed
US-8263609-B2 Tetrahydro-β-carbolin-sulfonamide derivatives as 5-Ht6 ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-09-11 US disclosed
US-20080280942-A1 Tetrahydro-Beta-Carbolin-Sulfonamide Derivatives as 5-Ht6 Ligands LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2008-11-13 US disclosed
US-20080280942-A1 Tetrahydro-Beta-Carbolin-Sulfonamide Derivatives as 5-Ht6 Ligands LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2008-11-13 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-20080280942-A1 Tetrahydro-Beta-Carbolin-Sulfonamide Derivatives as 5-Ht6 Ligands HTR6, HTR5A, HTR1B KIF11 4649/4885TP53 4492/4885MAPT 2845/4885

“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.