SCHEMBL1111757

SCHEMBL1111757

Clc1ccc(-c2ccccc2CN2CC[CH]CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 8/20 0.57
BCL2 P10415 5/20 0.48
BAK1 Q16611 3/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44
BCL2L1 Q07817 2/20 0.44
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL588394 0.84 SIGMAR1 (0.67) HTR7BCL2BAK1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL587708 0.83 SIGMAR1 (0.65) HTR7BCL2BAK1KDM4EALDH1A1
SCHEMBL2194377 0.83 HTR7 (0.63) HTR7BCL2BAK1KDM4EALDH1A1
SCHEMBL1138135 0.83 HTR7 (0.60) HTR7BCL2BAK1KDM4EALDH1A1
SCHEMBL376781 0.83 HTR7 (0.56) HTR7BCL2BAK1KDM4EALDH1A1
SCHEMBL1111682 0.83 HTR7 (0.56) HTR7BCL2BAK1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL9859525 0.82 HTR7 (0.62) HTR7BCL2BAK1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL5689236 0.82 HTR7 (0.55) HTR7BCL2BAK1KDM4EALDH1A1
SCHEMBL3988740 0.82 HTR7 (0.58) HTR7BCL2BAK1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL30688262 0.82 HTR7 (0.55) HTR7BCL2BAK1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102105449-A Arylsulfonamide compounds, compositions and methods of use GENENTECH INC 2011-06-22 CN disclosed
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 HTR7 2134/4885BCL2 3/4885BAK1 8/4885

“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.