SCHEMBL5327657

SCHEMBL5327657

O=S(=O)(O)NCCCCCCN1c2ccccc2C=Cc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.51
MTNR1B P49286 2/20 0.51
HDAC8 Q9BY41 1/20 0.47
HTR1A P08908 4/20 0.47
DRD2 P14416 4/20 0.47
HTR2A P28223 3/20 0.47
SLC6A4 P31645 2/20 0.47
HRH1 P35367 2/20 0.47
CHRM2 P08172 1/20 0.47
ADRA2A P08913 1/20 0.47
CHRM1 P11229 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
DRD1 P21728 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
ADRA1A P35348 1/20 0.47
OPRM1 P35372 1/20 0.47
DRD3 P35462 1/20 0.47
CACNA1B Q00975 1/20 0.47

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
SCHEMBL8103214 0.87 MTNR1A (0.47) MTNR1AMTNR1BHDAC8HTR1ADRD2
SCHEMBL5363710 0.79 MTNR1A (0.58) MTNR1AMTNR1BHDAC8HTR1ADRD2
SCHEMBL11394794 0.75 HTR1A (0.48) MTNR1AMTNR1BHDAC8HTR1ADRD2
SCHEMBL5862632 0.74 HDAC8 (0.56) MTNR1AMTNR1BHDAC8HTR1ADRD2
SCHEMBL2143965 0.73 HDAC8 (0.79) MTNR1AMTNR1BHDAC8
SCHEMBL1366451 0.73 HDAC8 (0.79) MTNR1AMTNR1BHDAC8
SCHEMBL5323524 0.73 CES1 (0.53) MTNR1AMTNR1BHDAC8HTR1ADRD2
SCHEMBL5464795 0.73 PIM1 (0.59) MTNR1AMTNR1BHDAC8HTR1ADRD2
SCHEMBL8103180 0.72 DRD2 (0.57) MTNR1AMTNR1BHDAC8DRD2TDP1
SCHEMBL2143907 0.72 HDAC8 (0.76) MTNR1AMTNR1BHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007143822-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-21 WO disclosed
US-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-20 US 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-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HAT1 MTNR1A 683/4885MTNR1B 1186/4885HDAC8 9/4885

“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.