SCHEMBL1111705

SCHEMBL1111705

Clc1ccc(-c2ccccc2CN2CC[N]CC2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 7/20 0.43
SIGMAR1 Q99720 3/20 0.43
PTAFR P25105 1/20 0.41
CYP2A13 Q16696 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PLA2G1B P04054 1/20 0.39
RAB9A P51151 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
HSD11B1 P28845 1/20 0.39
HTT P42858 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
SCHEMBL1111682 0.84 HTR7 (0.56) HTR7SIGMAR1HRH3KDM4EALDH1A1
SCHEMBL7097670 0.83 LMNA (0.49) HTR7SIGMAR1OPRM1OPRK1
SCHEMBL1111765 0.82 HTR7 (0.44) HTR7HRH3OPRM1OPRK1
SCHEMBL11370179 0.81 CXCR4 (0.48) HTR7SIGMAR1CYP2A13HRH3ALDH1A1
SCHEMBL1111800 0.81 HTR7 (0.60) HTR7HRH3
SCHEMBL1111683 0.81 HTR7 (0.64) HTR7HRH3
SCHEMBL1111899 0.78 ALDH1A1 (0.49) HTR7PTAFRKDM4EALDH1A1RAB9A
SCHEMBL1111700 0.78 HTR7 (0.50) HTR7HRH3ALDH1A1
SCHEMBL1111920 0.78 SIGMAR1 (0.50) HTR7SIGMAR1PTAFRCYP2A13KDM4E
SCHEMBL1578951 0.77 SIGMAR1 (0.66) SIGMAR1CYP2A13KDM4EALDH1A1PLA2G1B

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 HTR7 2134/4885SIGMAR1 2606/4885PTAFR 3286/4885

“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.