SCHEMBL3877938

SCHEMBL3877938

CN1CCc2c([nH]c3ccc(NS(=O)(=O)c4csc5ccccc45)cc23)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
HTR6 P50406 8/20 0.48
HTR1A P08908 3/20 0.48
HTR2C P28335 3/20 0.48
HTR7 P34969 2/20 0.48
ADRA2A P08913 1/20 0.42
DRD2 P14416 3/20 0.41
DRD1 P21728 3/20 0.41
DRD5 P21918 3/20 0.41
DRD3 P35462 3/20 0.41
LMNA P02545 4/20 0.40
TP53 P04637 4/20 0.40
MAPT P10636 4/20 0.40
CHRNA7 P36544 1/20 0.40
MEN1 O00255 1/20 0.40
GMNN O75496 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 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
SCHEMBL3885118 0.93 KDM4E (0.50) KDM4EHTR6HTR1AHTR2CHTR7
SCHEMBL3881116 0.88 HTR1A (0.42) HTR6HTR1AHTR2CHTR7ADRA2A
SCHEMBL3887616 0.84 HTR6 (0.41) HTR6HTR1AHTR2CHTR7ADRA2A
SCHEMBL4024729 0.84 HTR6 (0.56) KDM4EHTR6HTR1AHTR2CHTR7
SCHEMBL12316089 0.82 HTR6 (0.53) KDM4EHTR6HTR1AHTR2CHTR7
SCHEMBL3880376 0.82 KDM4E (0.45) KDM4EHTR6HTR1AHTR2CHTR7
SCHEMBL3875029 0.81 KDM4E (0.47) KDM4EHTR6HTR1AHTR2CHTR7
SCHEMBL4022862 0.80 HTR6 (0.59) KDM4EHTR6HTR1AHTR2CHTR7
SCHEMBL3874512 0.80 KIF11 (0.44) HTR6HTR1AADRA2ATP53MAPT
Hydrochloric Acid SCHEMBL4031202 0.79 HTR6 (0.60) KDM4EHTR6HTR1AHTR2CHTR7

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-20080280942-A1 Tetrahydro-Beta-Carbolin-Sulfonamide Derivatives as 5-Ht6 Ligands LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2008-11-13 US disclosed
WO-2007028460-A1 TETRAHYDRO-β-CARBOLIN-SULFONAMIDE DERIVATIVES AS 5-HT6 LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-03-15 WO disclosed
EP-1747779-A1 Tetrahydro-b-carbolin-sulfonamide derivatives as 5-HT6 ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-31 EP 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 KDM4E 4813/4885HTR6 1/4885HTR1A 9/4885

“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.