SCHEMBL1111920

SCHEMBL1111920

Clc1ccc(-c2ccccc2CN2CC[N]CC2)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.50
CYP2A13 Q16696 3/20 0.44
HTR7 P34969 3/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 2/20 0.42
LMNA P02545 2/20 0.42
PTAFR P25105 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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 0.81 HTR7 (0.56) SIGMAR1HTR7ALDH1A1MAPTKDM4E
SCHEMBL2094246 0.81 CYP2A13 (0.66) SIGMAR1CYP2A13ALDH1A1MAPTKDM4E
SCHEMBL1111705 0.78 HTR7 (0.43) SIGMAR1CYP2A13HTR7ALDH1A1KDM4E
SCHEMBL3960480 0.77 CYP2A13 (0.49) SIGMAR1CYP2A13ALDH1A1MAPTKDM4E
SCHEMBL1578951 0.77 SIGMAR1 (0.66) SIGMAR1CYP2A13ALDH1A1MAPTKDM4E
SCHEMBL2095163 0.75 KDM4E (0.61) SIGMAR1CYP2A13ALDH1A1MAPTKDM4E
SCHEMBL1111739 0.75 KDM4E (0.47) CYP2A13HTR7ALDH1A1MAPTKDM4E
SCHEMBL1111691 0.75 HTR7 (0.56) CYP2A13HTR7ALDH1A1KDM4ELMNA
SCHEMBL1540384 0.74 KDM4E (0.55) SIGMAR1HTR7ALDH1A1MAPTKDM4E
SCHEMBL1540385 0.74 KDM4E (0.55) SIGMAR1HTR7ALDH1A1MAPTKDM4E

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 SIGMAR1 2606/4885CYP2A13 4498/4885HTR7 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.