SCHEMBL5444167

SCHEMBL5444167

O=S(=O)(O)c1ccc(CCC2COc3ccc4ncccc4c3O2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
AIMP2 Q13155 1/20 0.37
NMT1 P30419 2/20 0.36
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.33
HTR1A P08908 5/20 0.33
ERN1 O75460 1/20 0.32
DRD2 P14416 3/20 0.32
HTR2A P28223 3/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
CSF1R P07333 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
LTA4H P09960 1/20 0.32
KCNH2 Q12809 1/20 0.32
HTR7 P34969 1/20 0.31

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
SCHEMBL6109580 0.83 HTR1A (0.48) MEN1TSHRKMT2AHTR1ADRD2
SCHEMBL6834659 0.83 HTR1A (0.48) MEN1TSHRKMT2AHTR1ADRD2
SCHEMBL4821524 0.79 TSHR (0.35) MEN1TSHRKMT2AHTTSMN1; SMN2
SCHEMBL6107718 0.78 DRD2 (0.43) MEN1TSHRKMT2AAIMP2HTR1A
SCHEMBL10583431 0.76 MEN1 (0.58) MEN1TSHRKMT2AHTTSMN1; SMN2
SCHEMBL4538637 0.74 LTA4H (0.40) MEN1KMT2AAIMP2HTTHTR1A
SCHEMBL6333669 0.74 MEN1 (0.36) MEN1TSHRKMT2AHTR1ADRD2
SCHEMBL4363802 0.74 LMNA (0.39) MEN1TSHRKMT2AHTTSMN1; SMN2
SCHEMBL5235467 0.74 NMT1 (0.40) TSHRAIMP2NMT1HTTSMN1; SMN2
SCHEMBL5235470 0.74 NMT1 (0.40) TSHRAIMP2NMT1HTTSMN1; SMN2

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
US-20070004702-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2007-01-04 US disclosed
US-20060293301-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2006-12-28 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 (2 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-20060293301-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans CRH, HTR5A, DBH MEN1 4332/4885TSHR 1338/4885KMT2A 3467/4885
US-20070004702-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans CRH, CYP19A1, HTR5A MEN1 3556/4885TSHR 1187/4885KMT2A 3334/4885

“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.