SCHEMBL3874692

SCHEMBL3874692

O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CCN(CC(F)(F)F)C3

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
GFER P55789 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
BAZ2B Q9UIF8 1/20 0.52
TRPV1 Q8NER1 5/20 0.48
LMNA P02545 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
HTT P42858 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
FAAH O00519 1/20 0.44
KIF11 P52732 1/20 0.43
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
GRIN2B Q13224 1/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 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
SCHEMBL3887465 0.85 MAPT (0.60) MAPTMEN1KMT2AGFERSMN1; SMN2
SCHEMBL3874478 0.83 MAPT (0.57) MAPTMEN1KMT2AGFERSMN1; SMN2
SCHEMBL3874258 0.80 BAZ2B (0.46) MEN1KMT2ABAZ2BTRPV1GRIN2B
SCHEMBL3877880 0.79 MAPT (0.64) MAPTMEN1KMT2AGFERSMN1; SMN2
SCHEMBL5546886 0.78 MEN1 (0.51) MAPTMEN1KMT2AGFERSMN1; SMN2
SCHEMBL3877884 0.78 MAPT (0.62) MAPTMEN1KMT2AGFERSMN1; SMN2
SCHEMBL168487 0.73 ACHE (0.70) MAPTMEN1KMT2ASMN1; SMN2BAZ2B
SCHEMBL699222 0.73 MAPT (1.00) MAPTMEN1KMT2AGFERSMN1; SMN2
SCHEMBL31233605 0.73 MAPT (1.00) MAPTMEN1KMT2AGFERSMN1; SMN2
SCHEMBL13328971 0.72 BAZ2B (0.71) MAPTMEN1KMT2AGFERSMN1; SMN2

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
US-8263609-B2 Tetrahydro-β-carbolin-sulfonamide derivatives as 5-Ht6 ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-09-11 US disclosed
EP-1919475-B1 TETRAHYDRO- BETA-CARBOLIN-SULFONAMIDE DERIVATIVES AS 5-HT6 LIGANDS ESTEVE LABOR DR (ES) 2009-03-11 EP 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
EP-1919475-A1 TETRAHYDRO- BETA-CARBOLIN-SULFONAMIDE DERIVATIVES AS 5-HT6 LIGANDS Laboratorios del Dr. Esteve S.A. (ES) 2008-05-14 EP 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

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 MAPT 2845/4885MEN1 2781/4885KMT2A 3664/4885

“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.