SCHEMBL1111672

SCHEMBL1111672

c1ccc(Oc2ccc(-c3ccccc3CN3CC[N]CC3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.51
HTR7 P34969 10/20 0.50
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GSTP1 P09211 1/20 0.41
NPBWR1 P48145 1/20 0.40
LTA4H P09960 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BCL2L1 Q07817 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
SCHEMBL1111800 0.87 HTR7 (0.60) HRH3HTR7DRD2DRD4DRD3
SCHEMBL1111683 0.87 HTR7 (0.64) HRH3HTR7DRD2DRD4DRD3
SCHEMBL1111771 0.86 HTR7 (0.64) HRH3HTR7DRD2DRD4DRD3
SCHEMBL1111761 0.83 HRH3 (0.48) HRH3HTR7DRD2DRD4DRD3
SCHEMBL1111682 0.81 HTR7 (0.56) HRH3HTR7DRD2DRD4DRD3
SCHEMBL1111700 0.81 HTR7 (0.50) HRH3HTR7DRD2DRD4DRD3
SCHEMBL1111765 0.79 HTR7 (0.44) HRH3HTR7FAAHMGLLGSTP1
SCHEMBL1111726 0.79 HTR7 (0.48) HRH3HTR7DRD2DRD4DRD3
SCHEMBL1111717 0.78 HTR7 (0.54) HRH3HTR7FAAHMGLLALDH1A1
SCHEMBL1111791 0.78 ATM (0.50) HRH3HTR7DRD2DRD4DRD3

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 HRH3 3879/4885HTR7 2134/4885DRD2 4637/4885

“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.