SCHEMBL1111791

SCHEMBL1111791

CSc1ccc(-c2ccccc2CN2CC[N]CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTR7 P34969 9/20 0.47
HRH3 Q9Y5N1 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
DHODH Q02127 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
SCHEMBL1111727 0.85 HTR7 (0.44) ATMSMN1; SMN2HTR7HRH3DRD2
SCHEMBL1111800 0.84 HTR7 (0.60) HTR7HRH3DRD2DRD4DRD3
SCHEMBL1111683 0.84 HTR7 (0.64) HTR7HRH3DRD2DRD4DRD3
SCHEMBL1677492 0.83 LMNA (0.52) ATMSMN1; SMN2HTR7HRH3GAA
SCHEMBL1677495 0.83 LMNA (0.52) ATMSMN1; SMN2HTR7HRH3GAA
SCHEMBL1111726 0.82 HTR7 (0.48) HTR7HRH3MAPTDRD2DRD4
SCHEMBL1111682 0.81 HTR7 (0.56) HTR7HRH3GAAMAPTDRD2
SCHEMBL1111700 0.81 HTR7 (0.50) HTR7HRH3MAPTDRD2DRD4
SCHEMBL1111771 0.81 HTR7 (0.64) HTR7HRH3DRD2DRD4DRD3
SCHEMBL1111687 0.80 HTR7 (0.45) ATMSMN1; SMN2HTR7GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAELL JONATHAN BAYLDON 2011-04-28 US disclosed
EP-2279174-A2 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Genentech, Inc. (US) 2011-02-02 EP disclosed
WO-2009143246-A2 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2009-11-26 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-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAX, API5, BCL2 ATM 2318/4885SMN1; SMN2 1633/4885HTR7 2134/4885

“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.