SCHEMBL6034795

SCHEMBL6034795

CN1CCN(CCCNS(=O)(=O)c2ccc(Br)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.66
L3MBTL1 Q9Y468 2/20 0.63
MBTD1 Q05BQ5 1/20 0.63
KMT2A Q03164 3/20 0.60
POLB P06746 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
HTR7 P34969 5/20 0.57
GAA P10253 1/20 0.53
HTR1A P08908 2/20 0.53
TSHR P16473 1/20 0.53
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
MEN1 O00255 1/20 0.52

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
SCHEMBL6034608 0.89 SIGMAR1 (0.83) SIGMAR1L3MBTL1MBTD1KMT2APOLB
SCHEMBL6035036 0.85 KMT2A (0.76) SIGMAR1KMT2APOLBTSHR
SCHEMBL30639297 0.84 HTR7 (0.80) L3MBTL1MBTD1KMT2APOLBHTR7
SCHEMBL6295349 0.83 MBTD1 (0.59) L3MBTL1MBTD1KMT2AHTR7HTR1A
SCHEMBL23682995 0.83 SIGMAR1 (0.79) SIGMAR1L3MBTL1MBTD1KMT2APOLB
SCHEMBL6034119 0.83 MBTD1 (0.59) L3MBTL1MBTD1KMT2APOLBHTR7
SCHEMBL5559853 0.83 KMT2A (0.60) L3MBTL1MBTD1KMT2APOLBTDP1
SCHEMBL14419669 0.81 CYP3A4 (0.58) L3MBTL1MBTD1KMT2APOLBHTR7
SCHEMBL10035543 0.80 HTR7 (0.82) SIGMAR1KMT2APOLBTDP1HTR7
SCHEMBL270734 0.80 SIGMAR1 (1.00) SIGMAR1L3MBTL1MBTD1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 US claimed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP claimed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 WO claimed
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 US disclosed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP disclosed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 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-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 GSK3A, GSK3B, PYGL SIGMAR1 289/4885L3MBTL1 2143/4885MBTD1 4528/4885

“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.