SCHEMBL6034810

SCHEMBL6034810

CN(C)CCCN(C)S(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.56
▸ HDAC4 P56524 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ VCAM1 P19320 2/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ RAB9A P51151 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.43
▸ GAA P10253 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ PLCG1 P19174 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ MMP2 P08253 1/20 0.40
▸ MMP7 P09237 1/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ MMP13 P45452 1/20 0.40

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
SCHEMBL6034965 0.89 SIGMAR1 (0.59) SIGMAR1HDAC4HDAC6SMN1; SMN2ALDH1A1
SCHEMBL20245336 0.86 SIGMAR1 (0.56) SIGMAR1VCAM1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL5859799 0.83 HDAC4 (0.49) HDAC4HDAC6VCAM1GAATSHR
SCHEMBL18498943 0.81 SIGMAR1 (0.51) SIGMAR1SMN1; SMN2ALDH1A1RAB9AGAA
SCHEMBL2414975 0.81 SIGMAR1 (0.57) SIGMAR1SMN1; SMN2ALDH1A1RAB9ATSHR
SCHEMBL1369533 0.80 VCAM1 (0.47) SIGMAR1HDAC4HDAC6VCAM1SMN1; SMN2
SCHEMBL9343506 0.79 SIGMAR1 (0.56) SIGMAR1SMN1; SMN2ALDH1A1RAB9AGAA
SCHEMBL3944095 0.79 CA9 (0.57) HDAC4HDAC6VCAM1ALDH1A1GAA
SCHEMBL3012193 0.78 SIGMAR1 (0.54) SIGMAR1VCAM1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL3917930 0.78 SIGMAR1 (0.55) SIGMAR1SMN1; SMN2ALDH1A1RAB9ATSHR

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 289/4885HDAC4 1128/4885HDAC6 392/4885

“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.

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